3-indole acetate
structural formula
| business number | 06a3 |
|---|---|
| molecular formula | c10h9no2 |
| molecular weight | 175.18 |
| label |
indole acetate, indoxyl hydrochloride, 3-indoxyl acetate, β-indolizine acetate, hydroxyindole acetate, acetic acid oxidizes indole, indoxyl acetate, indoxyl acetate |
numbering system
cas number:608-08-2
mdl number:mfcd00014561
einecs number:210-154-2
rtecs number:ai3325000
brn number:143086
pubchem number:24896038
physical property data
1. physical property data
melting point :128-131°c
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.
molecular structure data
5. molecular property data:
1, molar refractive index:49.86
2, molar volume (m3/mol):139.5
3, isotonic specific volume (90.2k ):372.2
4, surface tension (dyne/ cm):50.6
5、 polarizability (10-24cm3): 19.76
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 42.1
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 205
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
properties and stability:
no decomposition products may occur under normal temperatures and pressures.
storage method
storage:
seal the secret device, store in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet
2,3,4,5,6-pentafluorobenzyl alcohol
structural formula
| business number | 04u0 |
|---|---|
| molecular formula | c7h3f5o |
| molecular weight | 198 |
| label |
none yet |
numbering system
cas number:440-60-8
mdl number:mfcd00004602
einecs number:207-126-7
rtecs number:dp0695000
brn number:2052669
pubchem number:24851790
physical property data
一 , physical property data
traits ：white solid
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 37-38
boiling point (ºc, normal pressure): 114-115
boiling point (ºc, 5.2kpa): not available
refraction rate: not available
flash point (ºc): 87
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:32.67
2、 molar volume（m3/mol)：124.2
3、 isotonic specific volume (90.2k):296.4
4、 surface tension（dyne/cm)：32.3
5、 polarizability(10-24cm3）：12.95
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 162
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
the preparation method is 2,3,4,5,6-pentafluorobenzoic acid on a zn electrode in 5% h2 the product is obtained by fluidized bed electrolysis in so4 solution.
purpose
intermediates for pharmaceuticals, pesticides, and liquid crystal materials.
6-chloro-7-methylpurine
structural formula
| business number | 04tz |
|---|---|
| molecular formula | c21h26cl2f3n3s |
| molecular weight | 480.42 |
| label |
10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10h-phenothiazine dihydrochloride, trifluoperazine hydrochloride, strizine, trifluorazine dihydrochloride, labotest-bb lt00452002, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-trifluoromethyl-phenothiazine dihydrochloride, 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10h-phenothiazine dihydrochloride, stelazine, stelazine dihydrochloride, trifluoperazine 2h |
numbering system
cas number:440-17-5
mdl number:mfcd00012656
einecs number:207-123-0
rtecs number:sp1750000
brn number:3820024
pubchem number:24900344
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): 243
boiling point (ºc, normal pressure): not available
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:109.46
2、 molar volume（m3/mol)：312.9
3、 isotonic specific volume (90.2k):835.4
4、 surface tension（dyne/cm)：50.7
5、 polarizability(10-24cm3)：43.39
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: 7
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 35
7. number of heavy atoms: 30
8. surface charge: 0
9. complexity: 510
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: 3
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
for the treatment of paranoid schizophrenia, chronic schizophrenia, mental unrest, emotional disorders, nausea, vomiting, etc.