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1331-31-3

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Basic Information
CAS No.: 1331-31-3
Name: 2-CHLOROETHYLBENZENE
Molecular Structure:
Molecular Structure of 1331-31-3 (2-CHLOROETHYLBENZENE)
Formula: C8H9 Cl
Molecular Weight: 140.62
Synonyms: Chloroethylbenzene;Ethylchlorobenzene
Density: 1.064g/cm3
Melting Point: -62.6°C
Boiling Point: 227.2°Cat760mmHg
Flash Point: 91.2°C
Safety: Mildly toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHLORINATED HYDROCARBONS, AROMATIC; and CHLOROBENZENE.
PSA: 0.00000
LogP: 0.00000
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Chemistry

Empirical Formula: C8H9Cl
Molecular Weight: 140.6101 
Index of Refraction: 1.516
Density: 1.046 g/cm3
Flash Point: 61.5 °C
Enthalpy of Vaporization: 40.04 kJ/mol
Boiling Point: 181.2 °C at 760 mmHg
Vapour Pressure: 1.17 mmHg at 25 °C 
Structure of Ethylchlorobenzene (CAS NO.1331-31-3):
                   
XLogP3: 3 
IUPAC Name of Ethylchlorobenzene (CAS NO.1331-31-3): 2-Chloroethylbenzene
Canonical SMILES: C1=CC=C(C=C1)CCCl
InChI: InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: MNNZINNZIQVULG-UHFFFAOYSA-N

Uses

 Ethylchlorobenzene (CAS NO.1331-31-3) can be used as a pharmaceutical intermediate.

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
2.    

eye-rbt 500 mg

     AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
3.    

orl-rat LD50:5000 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.
4.    

skn-rbt LD50:18 g/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 30 (1948),63.

Safety Profile

Mildly toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHLORINATED HYDROCARBONS, AROMATIC; and CHLOROBENZENE.

Specification

 Ethylchlorobenzene ,its cas register number is 1331-31-3. It also can be called Benzene, chloroethyl- ; .beta.-Phenethyl chloride ; 1-Chloro-1-phenylethane ; and alpha-Chloroethylbenzene .