3-phenoxy-1,2-propanediol

3-phenoxy-1,2-propanediol structural formula

3-phenoxy-1,2-propanediol structural formula

Structural formula

Business number 05J9
Molecular formula C9H12O3
Molecular weight 168.19
label

Glycerol alpha-Monophenyl Ether,

3-Phenoxy-2-propanediol,

alpha-Phenylmonoglycerylether,

1-Fenoxy-2,3-propandiol

Numbering system

CAS number:538-43-2

MDL number:MFCD00004717

EINECS number:208-692-8

RTECS number:TZ1050000

BRN number:None

PubChem ID:None

Physical property data

1. Character: white crystal


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC): 50 -52


5. Boiling point (ºC,Normal pressure):315


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): 315


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, peripheral nerves and sensation flaccid paralysis without anesthesia (usually neuromuscular blockade), altered sleep duration (including altered righting reflex), respiratory depression;


Mouse transperitonealLD50: 1240 mg/kg, peripheral nerves and sensation Flaccid paralysis without anesthesia (usually nerve muscle block), muscle weakness and changes in the lungs, chest, or breathing;


Mouse subcutaneouslyLD50: 920mg/kg, autonomic nervous system smooth muscle relaxation (mechanism undefined, antispasmodic) ;


Unknown mammals by mouthLD50>5gm/kg, except No details other than lethal dose;

Ecological data

The substance May be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 45.22


2. Molar volume (m3/mol):141.8


3. isotonic specific volume (90.2K):374.3


4. Surface Tension (dyne/cm):48.5


5. Polarizability10-24cm3):17.92

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 110

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

As required It will not decompose or react when stored, keep away from oxides.

Storage method

Save sealed , place in a ventilated, dry place.

Synthesis method

Obtained from the reaction of phenol and 3-chloro-1,2-propanediol.

Purpose

Organic synthesis intermediates.

ial”>):374.3


4. Surface Tension (dyne/cm):48.5


5. Polarizability10-24cm3):17.92

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 110

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

As required It will not decompose or react when stored, keep away from oxides.

Storage method

Save sealed , place in a ventilated, dry place.

Synthesis method

Obtained from the reaction of phenol and 3-chloro-1,2-propanediol.

Purpose

Organic synthesis intermediates.

3-allyloxy-1,2-propanediol 3-Allyloxy-1,2-propanediol

3-allyloxy-1,2-propanediol structural formula

3-allyloxy-1,2-propanediol structural formula

Structural formula

Business number 03GK
Molecular formula C6H12O3
Molecular weight 132.16
label

3-(2-propenoxy)-1,2-propanediol,

α-allyl glyceryl ether,

Glyceryl allyl ether,

1-(prop-2-enyloxy)-propane-2,3-diol,

aliphatic compounds

Numbering system

CAS number:123-34-2

MDL number:MFCD00004721

EINECS number:204-620-4

RTECS number:TY2700000

BRN number:1701144

PubChem ID:None

Physical property data

1. Character: Colorless and odorless transparent liquid


2. Boiling point:84.5133Pa


3. Relative density:1.069720/ 4)

Toxicological data

1, acute toxicity: mice oral LD50: 4200mg/kg


Mouse subcutaneously LD50: 1135mg/kg


Ecological data

None yet

Molecular structure data

1. Molar refractive index: 34.34


2. Molar volume (m3/mol):124.4


3. isotonic specific volume (90.2K):310.3


4. Surface Tension (dyne/cm):38.7


5. Polarizability10-24cm3):13.61

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 72.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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. Property Description: Colorless and odorless transparent liquid. Hygroscopic.

Storage method

None yet

Synthesis method

2. Production method: With3-Propylene chloride and glycerol are used as raw materials, and ethanol is used as diluent, which can be further synthesized. Raw material consumption quota: glycerol (≥95)2870kg, 4. Surface Tension (dyne/cm):38.7


5. Polarizability10-24cm3):13.61

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 72.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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. Property Description: Colorless and odorless transparent liquid. Hygroscopic.

Storage method

None yet

Synthesis method

2. Production method: With3-Propylene chloride and glycerol are used as raw materials, and ethanol is used as diluent, which can be further synthesized. Raw material consumption quota: glycerol (≥95)2870kg, t;3-Chloropropylene (≥90) 2150kgt;Ethanol (≥95)3680kgt; sodium hydroxide (≥95) 1040kgt

Purpose

3. Use: Can be used to introduce monomers into unsaturated double bonds in unsaturated polyester polyurethane rubber, allowing vulcanization to proceed.

Roman”>t;3- Chloropropylene (≥90 2150kgt; ethanol (≥95)3680kg, t; Sodium hydroxide (≥95 1040kgt

Purpose

3. Use: Can be used to introduce monomers into unsaturated double bonds in unsaturated polyester polyurethane rubber, allowing vulcanization to proceed.

3-(4-Chlorophenoxy)-1,2-propanediol 3-(4-Chlorophenoxy)-1,2-propanediol

3-(4-chlorophenoxy)-1,2-propanediol structural formula

3-(4-chlorophenoxy)-1,2-propanediol structural formula

Structural formula

Business number 02PX
Molecular formula C9H11ClO3
Molecular weight 202.63
label

chlorinated benzene,

Chlorphenesin,

3-p-Chlorophenoxy-1,2-propanediol,

Chlorphenyl ether,

chlorophenol ether,

3-(4-chlorophenoxy)-1,2-propanediol,

MYCIL,

(P-Chlorophenyl)-a-glyceryl ether,

2-Chlorphenesin,

3-(4-Chlorophenoxy)-2-propanediol,

3-(P-Chlorophenoxy)-2-propanediol,

3-(p-Chlorophenoxy)propane-1,2-diol

Numbering system

CAS number:104-29-0

MDL number:MFCD00021990

EINECS number:203-192-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: white crystalline powder .


2. Density (g/mL,20): Undetermined


3. Relative vapor density (g/mL,air =1): Undetermined


4. Melting point (ºC):77- 79


5. Boiling point (ºC,normal pressure): Undetermined


6. Boiling point (ºC, kPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): 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 the partition coefficient for water: undetermined


Specific rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): 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 the partition coefficient for water: undetermined


17. Explosion upper limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

Acute toxicity: Mouse subcutaneous LD50: 911mg/kg;

Ecological data

Normally harmful to water.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 135

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Avoid withoxideContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. They should be stored separately from oxidants and reducing agents, and avoid mixed storage. Equipped with corresponding varieties and quantities of fire extinguishers
Material. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

-18pt; TEXT-ALIGN: left; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt; mso-pagination: widow-orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt : auto” align=left>17. Explosion upper limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

Acute toxicity: Mouse subcutaneous LD50: 911mg/kg;

Ecological data

Normally harmful to water.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 49.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 135

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Avoid withoxideContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. They should be stored separately from oxidants and reducing agents, and avoid mixed storage. Equipped with corresponding varieties and quantities of fire extinguishers
Material. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

3-Mercapto-1,2-propanediol 3-Mercapto-1,2-propanediol

3-mercapto-1,2-propanediol structural formula

3-mercapto-1,2-propanediol structural formula

Structural formula

Business number 02AV
Molecular formula C3H8O2S
Molecular weight 108.16
label

α-monothioglycerol,

α-thioglycerol,

3-Mercapto-1,2-propanediol,

α-Monothioglycerol,

α-Thioglycerol,

3-Mercapto-1,2-propanediol

Numbering system

CAS number:96-27-5

MDL number:MFCD00004879

EINECS number:202-495-0

RTECS number:TY8140000

BRN number:1732046

PubChem number:24896684

Physical property data

1. Characteristics: Colorless to light yellow transparent viscous liquid with strong hygroscopicity and sulfur smell.


2. Density (g/mL,20):1.24


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,normal pressure):118


6. Boiling point (ºC, kPa): Not determined


7. Refractive index:1.527


8. Flashpoint (ºC): 149


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): 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 the partition coefficient for water: undetermined


surface tension(dyne/cm)51.3


5. Dielectric constant:


6. Dipole moment(10 -24cm3)


7. Polarizability:10.65

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.8

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 41.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

AvoidContact air, avoid using Strong oxidant, waterContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with corresponding varietiesand quantity of fire-fighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as stabilizer and polymerization regulator for acrylonitrile polymers; modifier for reactive fuels; sensitizer raw material for photosensitive coatings; polymerization regulator for epoxy resin coatings; environmental protection Catalyst for oxyamine resin; stabilizer for chlorine-containing polymers, etc.

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Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with corresponding varietiesand quantity of fire-fighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as stabilizer and polymerization regulator for acrylonitrile polymers; modifier for reactive fuels; sensitizer raw material for photosensitive coatings; polymerization regulator for epoxy resin coatings; environmental protection Catalyst for oxyamine resin; stabilizer for chlorine-containing polymers, etc.

(±)-3-Chloro-1,2-propanediol (±)-3-Chloro-1,2-propanediol

(±)-3-chloro-1,2-propanediol structural formula

Structural formula

Business number 02AT
Molecular formula C3H7ClO2
Molecular weight 110.54
label

α-chloropropanediol,

α-Chloroglycerol,

α-chloroglycerin,

α-Chlorohydrin,

α-Glycerol chlorohydrin,

α-Monochlorohydrin,

Solvents for cellulose acetate, etc.,

dye intermediates,

alcohol compounds

Numbering system

CAS number:96-24-2

MDL number:MFCD00004712

EINECS number:202-492-4

RTECS number:TY4025000

BRN number:635684

PubChem number:24892264

Physical property data

1. Properties: colorless liquid, which gradually turns into a slightly greenish yellow liquid with a pleasant smell after being placed.

2. Relative density (g/mL, 20/4℃): 1.3204

3. Boiling point (ºC, decomposition): 213

4. Boiling point (ºC, 1.466kpa): 116

5. Melting point (ºC): -40

6. Refractive index (n20ºC): 1.4809

7. Viscosity (mPa·s, 20ºC): 159

8. Flash point (ºC, opening): 137.8

9. Heat of combustion (KJ/mol, 20ºC): 1680.6

10. Vapor pressure (kPa, 141ºC): 5.33

11. Vapor pressure (kPa, 113ºC): 1.33

12. Vapor pressure (kPa, 83ºC): 0.133

13. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -525.3

14. Solubility: soluble in water , ethanol, ether and acetone. Slightly soluble in toluene, insoluble in benzene, petroleum ether and carbon tetrachloride.

Toxicological data

1. Acute toxicity: Rat oral LD50: 150mg/kg, mouse oral LD50: 150mg/kg, rat inhalation MLC is 125mg/m3

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 23.82

2. Molar volume (cm3/mol): 84.8

3. Isotonic specific volume (90.2K ): 220.7

4. Surface tension (dyne/cm): 45.8

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 9.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Rotatable chemical bondsNumber: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the atoms Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 1

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

1. Avoid exposure to light, moist air, and contact with strong oxidants and strong alkali. It is hygroscopic and will gradually turn yellow when exposed to light or left for a long time. Gradually decomposes into acid when exposed to moisture for a long time.

Chemical properties: 3-chloro-1,2-propanediol partially decomposes when heated to 140~142°C. Oxidation with concentrated nitric acid produces 3-chlorolactic acid. Oxidation with potassium periodate in dilute nitric acid solution produces chloroacetaldehyde. 3-Chloro-1,2-propanediol is dehydrochlorinated to form glycidol. When refluxing with water for a long time, it gradually hydrolyzes to form glycerol. Under the action of alkoxy metal compounds equivalent to primary alcohols, glycerol-α-alkyl ether is generated.

2. Exist in smoke.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Obtained from chlorination of glycerol. Add glycerin and acetic acid to the reaction pot, stir and heat to 90-95°C, and pass dry hydrogen chloride gas until the weight of the reaction solution increases to 150% (theoretical value), which is the end point. Distill under reduced pressure to obtain crude product. Fractionate again and collect the 128-132°C (1.33-2.67kPa) fraction to obtain 3-chloro-1,2-propanediol.

2. From epichlorohydrin Derived from hydrolysis. Add epichlorohydrin into the reaction pot, stir, add dilute sulfuric acid to make the reaction solution acidic, raise the temperature, reflux for 1 hour, and distill the product under reduced pressure to obtain the finished product. Raw material consumption quota: epichlorohydrin (>95%) 1200kg/t, sulfuric acid 3kg/t.

Refining method: Refined by vacuum distillation .

3. Preparation method:

In a reaction bottle equipped with a stirrer, thermometer, dropping funnel, and reflux condenser, add 120 mL of water and 1 mL of concentrated sulfuric acid, add to 80°C, and slowly add epichlorohydrin (2) 120g (1.3mol), after adding, continue to stir the reaction at 90°C for 1.5h to complete the reaction. Concentrate under reduced pressure to remove the water, and finally collect the fraction at 137-140°C/2.4kPa to obtain 100g of 3-chloro-1,2-propanediol, with a yield of 70%. Note: ① The hydrolysis of epichlorohydrin is an exothermic reaction, and the dripping speed should not be too fast, otherwise the reactants will rush out of the reaction bottle due to violent reaction. [1]

Purpose

It is used in organic synthesis, as an intermediate for drugs, as a solvent for cellulose acetate, etc., and for the preparation of plasticizers, surfactants, dyes, drugs, and glycerin derivatives. In addition, it can also be used to lower the freezing point of yellow explosives.

1,2-Propanediol,3,3′-[(dibutylstannylene)bis(thio)]bis-; Dibutyltinbis(1-thiolglycerol)

Overview:

Chinese name: FASCAT4224 catalyst, dibutyl tin bis (1-thioglycerol),

Alias: FASCAT4224 catalyst, dibutyl tin bis (1-thioglycerol), CAS No. 68298-38-4,

English name: FASCAT 4224, 1,2-Propanediol,3,3′-[(dibutylstannylene)bis(thio)]bis-; Dibutyltinbis(1-thiolglycerol); Fascat 4224; 68298-38-4; di-n-butyl

FASCAT 4224 catalyst CAS 68298-38-4 Dibutyl tin bis (1-thioglycerol) 1,2-Propanediol,3,3'-[(dibutylstannylene)bis(thio)]bis-; Dibutyltinbis(1- thiolglycerol)


FASCAT 4224 catalyst CAS 68298-38-4 Dibutyl tin bis (1-thioglycerol)
1,2-Propanediol,3,3′-[(dibutylstannylene)bis(thio)]bis-; Dibutyltinbis(1-
thiolglycerol)

Physical and chemical properties:

CAS 68298-38-4

EC 269-561-9

Molecular formula C8H18CI2SN

Properties: the chemical properties of dibutyl tin bis (1-thioglycerol)

Uses: Organotin

Product category: Organometallic compounds

 

use:

 

 

Storage and transportation:

It should be sealed and stored in a dry, cool and ventilated warehouse.

 

package:

Packing: 25Kg cardboard drum.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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