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
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