Structural formula
Business number | 02RS |
---|---|
Molecular formula | C5H9ClO2 |
Molecular weight | 136.58 |
label |
Chloroacetic Acid Isopropyl Ester |
Numbering system
CAS number:105-48-6
MDL number:MFCD00040410
EINECS number:203-301-7
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: liquid.
2. Density (g/mL, 25℃): 1.08
3. Relative density (20℃, 4℃): 1.0888
4. Relative Density (25℃, 4℃): 1.0812
5. Boiling point (ºC, normal pressure): 149-150
6. Refractive index at room temperature (n20): 1.4192
7. Refractive index: 1.418-1.42
8. Flash point (ºC): 56
9. Refractive index at room temperature (n 25): 1.4175
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined Determined
12. Saturated vapor pressure (kPa, ℃): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical Temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
p>
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Dissolution Properties: Slightly soluble in water.
Toxicological data
None
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 31.79
2. Molar volume (cm3/mol): 126.3
3. Isotonic specific volume (90.2K ): 291.6
4. Surface tension (dyne/cm): 28.4
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 80.5
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
Avoid contact with oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants and strong alkali, 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
None
Purpose
None