1 – Page 6 – BDMAEE

1,1-acetylcyclopropane

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	07am
molecular formula	c7h10o2
molecular weight	126.15
label	alicyclic compounds

numbering system

cas number:695-70-5

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: unknown� setting

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/logarial value of the partition coefficient of water: undetermined

17. explosion limit ( %,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined .

toxicological data

none yet

ecological data

usually not harmful to water, do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 32.15

2. molar volume（m³/ mol）：114.1

3. isotonic ratio（90.2k）：287.3

4. surface tension（dyne/cm）：40.1

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability:12.74

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 150

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

stable at normal temperature and pressure.

storage method

at2-10℃ save.

synthesis method

aluminum oxide impregnated with potassium fluoride is used as a solid strong base, which is composed of acetylacetone and acetylacetone under phase transfer catalytic conditions1,2-dibromoethane was synthesized through alkylation reaction 1,1-diacetylcyclopropane.

purpose

none yet

resource:allhdi.com

1,7-dihydroxynaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

structural formula

business number	05uw
molecular formula	c10h8o2
molecular weight	160.17
label	1,7-naphthodiol, 1,7-naphthalenediol, medicine

numbering system

cas number:575-38-2

mdl number:mfcd00035720

einecs number:209-383-0

rtecs number:qj4746666

brn number:1908499

pubchem number:24863509

physical property data

1. physical property data

1. characteristics: slightly yellow powder

2. flash point (℃):252

3. melting point (℃):177-179

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 47.85

2. molar volume (m³/mol）：120.4

3. isotonic specific volume (90.2k):341.1

4. surface tension (dyne/cm):64.4

5. polarizability（10^-24cm³):18.97

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 13

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 158

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

purpose:

chemical raw materials and intermediates.

resource:allhdi.com

1,7-dimethylnaphthalene

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	05uv
molecular formula	c12h12
molecular weight	156.22
label	aromatic compounds

numbering system

cas number:575-37-1

mdl number:mfcd00060884

einecs number:209-382-5

rtecs number:none

brn number:2039377

pubchem number:24865504

physical property data

1. physical property data

1. properties: liquid.

2. density (g/ml, 25/4℃): 1.0115

3. refractive index (nd20): 1.6083

4. flash point (℃):＞110

5. melting point (℃): -13.9

6. boiling point (ºc): 263

7. boiling point (ºc, 2.0kpa): 147～149

8. density (20℃, 4℃): 1.0016

9. refractive index at room temperature (n²⁵): 1.6054

10. liquid phase standard hot melt (j·mol^-1·k^-1): 280.0

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 156.0

3. isotonic specific volume (90.2k): 386.3

4. surface tension (dyne/cm): 37.5

5. polarizability (10^-24cm³): 21.30

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 150

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. can evaporate with water vapor.

2. exist in oriental tobacco leaves and smoke.

storage method

2. storage

should be stored in a cool and sealed place.

synthesis method

1. tobacco: or, 57.

purpose

3. use

used in organic synthesis.

resource:allhdi.com

1,1-dibromo-3,3,3-trifluoroacetone

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	04t2
molecular formula	c3hbr2f3o
molecular weight	269.85
label	1,1-dibromo-3,3,3-trifluoroacetone, 1,1-dibromo-3,3,3-trifluoroacetone, 3,3-dibromo-1,1,1-trifluoroacetone, 1,1-dibromo-3,3,3-trifluoroacetone 97%, 1,1-dibromo-3,3,3-trifluoroacetone97%, 3,3-dibromo-1,1,1-trifluoropropan-2-one

numbering system

cas number:431-67-4

mdl number:mfcd00041362

einecs number:none

rtecs number:none

brn number:636645

pubchem id:none

physical property data

一 , physical property data

traits ：light red liquid

density (g/ml,25/4℃): not available

relative vapor density (g/ml, air=1)：not available

melting point (ºc): not available

boiling point (ºc, normal pressure): 111

boiling point (ºc, 5.2kpa): not available

refraction rate: not available

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1、 molar refractive index:31.85

2、 molar volume（m³/mol)：118.3

3 , isotonic specific volume (90.2k):281.8

4、 surface tension（dyne/cm)：32.2

5、 polarizability(10^-24cm³）：12.62

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 119

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

1,6-diiodoperfluorohexane

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	04kb
molecular formula	i(cf2)6i
molecular weight	553.86
label	1,6-diiododedecafluorohexane, dodecafluoro-1,6-dipyridylethane, dodecafluoro-1,6-diiodohexane, perfluoro-1,6-diiodohexane, aliphatic compounds

numbering system

cas number:375-80-4

mdl number:mfcd00042264

einecs number:206-794-7

rtecs number:none

brn number:1822186

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 2.357

relative vapor density (g/ml, air=1)：not available

melting point (ºc): 25-30

boiling point (ºc, normal pressure): 173-174

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.398

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 57.54

2. molar volume (m³/mol）：230.8

3. isotonic specific volume (90.2k):503.4

4. surface tension (dyne/cm):22.6

5. polarizability（10^-24cm³): 22.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 12

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 338

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

1,1,2-trichloro-3,3,3-trifluoropropene

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	04t1
molecular formula	c3cl3f3
molecular weight	199.39
label	1,1,2-trichloro-3,3,3-trifluoropropylene, 1,1,2-trichloro-3,3,3-trifluoro-1-propene, 1,1,1-trifluoro-2,3,3-trichloro-2-propene, 1,1,1-trifluoro-2,3,3-trichloropropene, 1,1,2-trichloro-3,3,3-trifluoro-1-propen, 1,1,2-trichloro-3,3,3-trifluoropropene-1, 1,1,2-trichlorotrifluoro-1-propene, 1-propene,1,1,2-trichloro-3,3,3-trifluoro-, propene, 1,1,2

numbering system

cas number:431-52-7

mdl number:mfcd00013672

einecs number:207-075-0

rtecs number:ud2696000

brn number:1766481

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 1.617

relative vapor density (g/ml, air=1)：not available

melting point (ºc): -114

boiling point (ºc, normal pressure): 88

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.406

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

2. toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1、 molar refractive index:30.69

2、 molar volume （m³/mol)：121.8

3、 isotonic specific volume (90.2k): 270.0

4、 surface tension （dyne/cm)：24.1

5、 polarizability（10^-24cm³）：12.16

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.5

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 132

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15 .number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

1,1,2,2-tetrachlorotetrafluorocyclobutane

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	04ac
molecular formula	c4cl4f4
molecular weight	265.85
label	1,1,2,2-tetrachlorotetrafluorocyclobutane, 1,1,2,2-tetrachlorotetrafluorocyclobutane, 1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane, 1,1,2,2-tetrachloroterafluorocyclobutane, tetrachlorotetrafluorocyclobutane, 1,1,2,2-tetrachloroterafluorocyclobutane 97%, 1,1,2,2-tetrachloroterafluorocyclobutane97

numbering system

cas number:336-50-5

mdl number:mfcd00039440

einecs number:206-409-2

rtecs number:none

brn number:none

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): not available

relative vapor density (g/ml, air=1)：not available

melting point (ºc): 84-86

boiling point (ºc, normal pressure):131-133
boiling point (ºc, 5.2kpa): not available

refraction rate: not available

flash point (ºc): 131-133

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 38.36

2. molar volume (m³/mol）：145.4

3. isotonic specific volume (90.2k):337.9

4. surface tension (dyne/cm):29.1

5. polarizability(10^-24cm³):15.20

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 199

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

1,3-indandione

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	0695
molecular formula	c9h6o2
molecular weight	146.14
label	1,3(2h)-1h-indanedione, 1h-indene-1,3-(2h)-dione, inean-1,3-dione

numbering system

cas number:606-23-5

mdl number:mfcd00003779

einecs number:210-109-7

rtecs number:nk5070000

brn number:1210061

pubchem number:24869406

physical property data

1. properties: needle-shaped crystals.

2. density (g/ml, 25/4℃): 1.37

3. melting point (℃): 131~132℃ (decomposition).

4. solubility: slightly soluble in water, soluble in ethanol, ether, benzene and alkali.

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 38.68

2. molar volume (cm³/mol): 111.5

3. isotonic specific volume (90.2k): 302.8

4. surface tension (dyne/cm): 54.3

5. polarizability (10^-24cm³): 15.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 186

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. nitrate with nitric acid in acetic acid or acetic anhydride to obtain 2-nitro derivatives. nitro derivatives can be condensed with benzyl alcohol and can also be reduced.

2. exist in mainstream smoke.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

1. brief description of the production method

it is produced by condensation of diethyl phthalate and ethyl acetate under the action of sodium ethoxide, and then hydrolysis with dilute acid.

2. preparation method:

in a reaction bottle equipped with a stirrer, dropping funnel, and reflux condenser (installed with a calcium chloride drying tube), add 125g (0.563mol) of diethyl phthalate (2) and sodium metal ��25g (1.09mol), heated in steam bath. a mixture of 122.5g (1.39mol) of dry ethyl acetate and 2.5ml of absolute ethanol was added dropwise, and the addition was completed in about 1.5h, and then the reaction was continued with stirring for 6h. cool and add 50 ml of diethyl ether. the precipitated sodium salt was filtered and washed with ethyl acetate. dissolve the sodium salt in 1.5l hot water, cool to 70°c, and add 100ml sulfuric acid (composed of 3 parts sulfuric acid and 1 part water) with vigorous stirring. cool to 15°c in ice water bath. filter, wash with water, and dry at 100°c to obtain 58 g of 1,3-indanedione (1), with a yield of 71%. recrystallize from dioxane-benzene (add petroleum ether), mp130°c. ^[1]

purpose

3. uses

used as organic synthesis reagents.

resource:allhdi.com

1,2-diaminocyclohexane

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	07ad
molecular formula	c6h14n2
molecular weight	114.19
label	(1r,2r)-(-)-1,2-cyclohexyldiamine, (1r,2r)-(-)-1,2-cyclohexanediamine, 1,2-diaminocyclohexane, 1,2-diaminocyclohexane, mixture of cis and trans, c6h10(nh2)2, epoxy resin hardener, alicyclic compounds

numbering system

cas number:694-83-7

mdl number:mfcd00001491

einecs number:211-776-7

rtecs number:gu8749500

brn number:506142

pubchem number:24848059

physical property data

1. character: liquid.

2. density (g/ml,25/4℃): 0.931

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 41-45

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: 1.49

8. flashpoint (ºc): 70

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient (water): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined.

toxicological data

1, acute toxicity: rat (oral) ld50: 4,556 mg/kg
rat (inhalation)lclo： 3,200 mg/m3/4h

since the ld50 of table salt is 3,000 mg/kg, bpa has the same degree of acute toxicity as table salt.

ecological data

if it is slightly harmful to water, do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. do not release material into the environment without government permission. a large amount of discharge into rivers and sewers can cause an increase in ph. excessive ph will be harmful to organic matter in the water. concentration dilution during use can greatly reduce the ph, thereby reducing the harm to water caused by product discharge.

molecular structure data

1. molar refractive index:34.77

2. molar volume(m³/ mol）：121.5

3. isotonic ratio(90.2k）：299.9

4. surface tension（dyne/cm)：37.0

5. dielectric constant:

6. dipole moment(10^-24cm³)：

7. polarizability: 13.78

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 52

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 62.9

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

keep away from oxides, acids, air, and carbon dioxide.

storage method

store in a room filled with dry inert gas container and place in a cool, dry place. the storage area must be locked and the keys must be given to the technical experts and their assistants. avoid moisture and humidity. keep away from oxidizing agents. store away from air.

synthesis method

none yet

purpose

for organic synthesis, epoxy resin curing agent.

resource:allhdi.com

1,2-dichlorooctafluorocyclohexene

Published by BDMAEE on 2024-03-25 | Permalink

structural formula

business number	04ab
molecular formula	c6cl2f8
molecular weight	294.95
label	1,2-dichlorooctafluorocyclohexene, 1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro-cyclohexen, 1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene, 1,2-dichlorooctafluoro-cyclohexen, 1,2-dichloroperfluorocyclohexene, cyclohexene, 1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro-, cyclohexene, 1,2-dichlorooctaflu

numbering system

cas number:336-19-6

mdl number:mfcd00039466

einecs number:206-408-7

rtecs number:gw6000000

brn number:none

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 1.719

relative vapor density (g/ml, air=1)：not available

melting point (ºc): -70

boiling point (ºc, normal pressure): 112

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.375

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

2. toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 37.88

2. molar volume (m³/mol）：168.8

3. isotonic specific volume (90.2k):356.9

4. surface tension (dyne/cm): 19.9

5. polarizability(10^-24cm³):15.01

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.8

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 324

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com