CAS 20001-64-3 1-Chloro-2-(1-chloroethyl)benzene (HCID 587034)

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Basic information

CAS: 20001-64-3
Standard SMILES: CC(Cl)c1ccccc1Cl
InChIKey: GTNKGWCGZVQBGT-UHFFFAOYSA-N
Molecular formula: C8H8Cl2
Average molar mass: 175.05 g/mol
Monoisotopic mass: 174.00030562

Names & identifiers

Preferred name: 1-Chloro-2-(1-chloroethyl)benzene
IUPAC: 1-chloro-2-(1-chloroethyl)benzene
English name: 1-CHLORO-2-(1-CHLOROETHYL)BENZENE
Molecular formula: C8H8Cl2
Molecular weight: 175.06

Names & synonyms

1-Chloro-2-(1-chloroethyl)benzene20001-64-3DTXSID10343056RefChem:431179DTXCID70294136855-037-2Benzene, 1-chloro-2-(1-chloroethyl)-MFCD063601251-(2-Chlorophenyl)ethyl chlorideSCHEMBL1588934SCHEMBL10768438SCHEMBL13145152

Show more names

alpha-methyl-2-chlorobenzyl chlorideAKOS0089654611-Chloro-2-(1-chloroethyl)benzene #AB917791-Chloro-2-(.alpha.-chloroethyl)benzeneFC162247CS-0449603EN300-09852

Database identifiers

CAS: 20001-64-3
PubChem CID: 587034
DTXSID: DTXSID10343056
EC Number: 855-037-2
Nikkaji: J31.709H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 215.5 · 215.5±15.0 °C(Predicted)
Density: 1.196 · 1.196±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.