CAS 65130-47-4 1-(1-Bromoethyl)-3-chlorobenzene (HCID 9920855)

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Basic information

CAS: 65130-47-4
Standard SMILES: CC(Br)c1cccc(Cl)c1
InChIKey: GYMHOIORCMJXQL-UHFFFAOYSA-N
Molecular formula: C8H8BrCl
Average molar mass: 219.5 g/mol
Monoisotopic mass: 217.94979004

Names & identifiers

Preferred name: 1-(1-Bromoethyl)-3-chlorobenzene
IUPAC: 1-(1-bromoethyl)-3-chlorobenzene
English name: 2-chloro-4-bromoethylbenzene
Molecular formula: C8H8BrCl
Molecular weight: 219.51

Names & synonyms

1-(1-bromoethyl)-3-chlorobenzene65130-47-4DTXSID70432834RefChem:222415DTXCID40383662850-857-71-(1-Bromo-ethyl)-3-chloro-benzeneMFCD11103128Benzene, 1-(1-bromoethyl)-3-chloro-1-(1-bromoethyl)-3-chloro-benzeneSCHEMBL626360SCHEMBL28029483

Show more names

2-chloro-4-bromoethylbenzene

SCHEMBL30057167GYMHOIORCMJXQL-UHFFFAOYSA-NAKOS009306089BS-13263CS-0250792EN300-52230F088754F1901-0268

Database identifiers

CAS: 65130-47-4
PubChem CID: 9920855
DTXSID: DTXSID70432834
EC Number: 850-857-7
Nikkaji: J387.653E

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 226.95 · 226.950±15.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.482 · 1.482±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.