(1-Chloroethyl)benzene

HCID 12648

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Basic information

CAS: 672-65-1
Standard SMILES: CC(Cl)c1ccccc1
InChIKey: GTLWADFFABIGAE-UHFFFAOYSA-N
Molecular formula: C8H9Cl
Average molar mass: 140.61 g/mol
Monoisotopic mass: 140.03927797

Names & identifiers

Preferred name: (1-Chloroethyl)benzene
IUPAC: 1-chloroethylbenzene
English name: (1-Chloroethyl)benzene
Molecular formula: C8H9Cl
Molecular weight: 140.61

Names & synonyms

(1-CHLOROETHYL)BENZENE672-65-11-Phenylethyl chlorideBenzene, (1-chloroethyl)-alpha-Phenylethyl chloride(RS)-Phenethyl chloride.alpha.-Phenylethyl chlorideEINECS 211-594-8234V97K06ADTXSID20870747RefChem:392108DTXCID60818441

Show more names

1-CHLORO-1-PHENYLETHANEGY1&RAKOS BBS-00004088Chloro-1-phenylethTIMTEC-BB SBB007671β-Chlorophenylethane(Chloromethyl)toluenebenzene,1-chloroethyl-

ALPHA-PHENYLETHYL CHLORIDE, (+-)-.ALPHA.-PHENYLETHYL CHLORIDE, (+-)-211-594-81-chloroethylbenzenealpha-Methylbenzyl chloride1-PHENYLETHYLCHLORIDEMFCD00018870.alpha.-Methylbenzyl chloride

Database identifiers

CAS: 672-65-1
PubChem CID: 12648
DTXSID: DTXSID20870747
UNII: 234V97K06A
EC Number: 211-594-8
Nikkaji: J130.648K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 74.6

Physicochemical properties

Melting point: -41.95 °C · -41.95°C (estimate)
Boiling point: 90 °C · 90 °C (33 mmHg)
Density: 1.06 · 1.06
refractive index: 1.526 · 1.526-1.528
Flash point: 44 °C · 44 °C
storage temp.: Flammables area
form: Liquid
color: Clear colorless to light yellow
CAS DataBase Reference: 672 · 672-65-1(CAS DataBase Reference)
FDA UNII: 234 V97K06A · 234V97K06A
NIST Chemistry Reference: Benzene, (1-chloroethyl)-(672-65-1)
EPA Substance Registry System: (1-Chloroethyl)benzene (672-65-1)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-10
Safety Statements: 37 · 37/39-26-16
RIDADR: 1993 · 1993
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29036990 · 29036990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, (1-chloroethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

tsca: TSCA listed
ridadr: 1993
hs_code: 29036990
risk_code: 36/37/38-10
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39-26-16
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501