Chloromethyl acetate
Structural formula
| Business number | 06S9 |
|---|---|
| Molecular formula | C3H5ClO2 |
| Molecular weight | 108.52 |
| label |
Methyl acetate chloride, Chloromethylacetic acid, Chloromethylacetate, Acetic Acid Chloromethyl Ester |
Numbering system
CAS number:625-56-9
MDL number:None
EINECS number:210-902-8
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: colorless transparent liquid
2. Relative density (20℃): 1.1645
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, 100.6kpa): 88~103
6. Boiling point (ºC ,38.65kPa): 58~62
7. Refractive index (20℃): 1.4029
8. Flash point (ºC): 44
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): 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
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in organic solvents such as ether.
Toxicological data
None
Ecological data
Generally not hazardous to water, the material is biodegradable and should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 22.57
2. Molar volume (cm3/mol): 92.9
3. Isotonic specific volume (90.2K ): 214.6
4. Surface tension (dyne/cm): 28.4
5. Polarizability (10-24cm3): 8.94
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 0
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 26.3
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 52.8
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determine the 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
Keep away from oxidants, reducing agents, acids, bases, protic solvents, light, heat, open flames, high temperatures, moisture, moisture, and static charges.
It is highly toxic and has irritating effects on all tissues. It is flammable and may cause combustion and explosion when exposed to open flame, high heat or contact with oxidants. Emit highly toxic fumes when exposed to heat, acid or acid mist. Self-priming filter gas masks must be worn when there is a possibility of contact with its vapor. Wear an oxygen respirator during emergency rescue or evacuation.
Storage method
Store in a sealed container in a cool, dry place at room temperature away from light. Store away from oxidizing agents.
Synthesis method
Chloromethyl acetate is prepared by chloromethylation reaction using acetyl chloride and paraformaldehyde as raw materials under the action of anhydrous zinc chloride.
Purpose
Used as solvent and raw material for adhesives and surfactants.
