2-Chloroethyl acetate
Structural formula
| Business number | 05LM |
|---|---|
| Molecular formula | C4H7ClO2 |
| Molecular weight | 122.55 |
| label |
Acetic Acid 2-Chloroethyl Ester, 1-Acetoxy-2-chloroethane, 2-Acetoxy-1-chloroethane, 2-Acetoxyethyl chloride |
Numbering system
CAS number:542-58-5
MDL number:None
EINECS number:208-820-2
RTECS number:KK1010000
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: colorless transparent liquid
2. Density (g/ cm3,25/4℃):1.16
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure):145
6. Boiling point (ºC,66.70kPa): Undetermined
7. Refractive index: not OK
8. Flash point (ºC):54
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,55.1ºC) : 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 partition coefficient (water): not determined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Undetermined
Toxicological data
1 , Acute toxicity: rat Oral LD50: 10mg/kg, behavioral – changes sleep time ( including altered righting reflex), drowsiness (common depressive activity), dyspnea;
Orally administered to miceLD50: 250mg/kg, behavioral – muscle�Contraction or spasm, ulcers or bleeding in the digestive tract –, and other changes in the stomach and liver.
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 27.20
2. Molar volume (m3/mol）：109.4
3. isotonic specific volume (90.2K):254.4
4. Surface Tension (dyne/cm):29.2
5. Polarizability（10-24cm3):10.78
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
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: 7
8. Surface charge: 0
9. Complexity: 62.7
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
Will184.5g (1.93mol)99%chloroacetic acid,285mlBenzene,183ml（2.88 mol) Absolute ethanol and approximately1 mlPut the mixture of concentrated sulfuric acid into the three-necked bottle of the water separator and heat it on the water bath to reflux , divided into74 ml水和45 mlbenzene, then transfer the reactants to a separatory funnel and mix with water and1%Sodium bicarbonate aqueous solution was washed until neutral, dried over anhydrous magnesium sulfate, and then fractionated under normal pressure and collectedb.p.141~142℃Fraction,
Purpose
None
