CAS 16799-05-6 1-(2-Bromoethyl)-3-chlorobenzene (HCID 140140)

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Basic information

CAS: 16799-05-6
Standard SMILES: Clc1cccc(CCBr)c1
InChIKey: LKPWGXCMVLJRIK-UHFFFAOYSA-N
Molecular formula: C8H8BrCl
Average molar mass: 219.5 g/mol
Monoisotopic mass: 217.94979004

Names & identifiers

Preferred name: 1-(2-Bromoethyl)-3-chlorobenzene
IUPAC: 1-(2-bromoethyl)-3-chlorobenzene
English name: 3-CHLOROPHENETHYL BROMIDE, 97%
Molecular formula: C8H8BrCl
Molecular weight: 219.51

Names & synonyms

1-(2-Bromoethyl)-3-chlorobenzeneRefChem:421645627-861-03-Chlorophenethyl bromide16799-05-6Benzene, 1-(2-bromoethyl)-3-chloro-3-Chlorophenethyl bromide, 97%1-Bromo-2-(3-chlorophenyl)ethaneMFCD041174651-(2-Bromo-ethyl)-3-chloro-benzene3-CHLOROPHENETHYL BROMIDE, 97per cent3-ChlorophenethylBromide

Show more names

3-CHLOROPHENETHYLBROMIDE,97%

3-Chloro-1-(2-bromoethyl)benzene3-chlorobromoethylbenzenem-chlorophenethyl bromideSCHEMBL177421SCHEMBL8702984SCHEMBL27528510SCHEMBL27794927SCHEMBL29566831

Database identifiers

CAS: 16799-05-6
PubChem CID: 140140
DTXSID: DTXSID80168455
EC Number: 627-861-0
Nikkaji: J105.412K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 85 °C · 85 °C(Press: 0.1 Torr)
Density: 1.489 · 1.489±0.06 g/cm3(Predicted)
Flash point: 110 °C · 110 °C
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: 1S/C8H8BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey: LKPWGXCMVLJRIK-UHFFFAOYSA-N
SMILES: Clc1cccc(CCBr)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.