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

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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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