Benzeneacetyl chloride, 4-bromo-

HCID 181552CAS 37859-24-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)Cc1ccc(Br)cc1
InChIKey: VQVBNWUUKLBHGI-UHFFFAOYSA-N
Molecular formula: C8H6BrClO
Average molar mass: 233.49 g/mol
Monoisotopic mass: 231.92905459

Names & identifiers

Preferred name: Benzeneacetyl chloride, 4-bromo-
IUPAC: 2-(4-bromophenyl)acetyl chloride
English name: 4-Bromophenylacetyl chloride
Molecular formula: C8H6BrClO
Molecular weight: 233.49

Names & synonyms

37859-24-84-Bromophenylacetyl chlorideBenzeneacetyl chloride, 4-bromo-DTXSID70191297RefChem:562980DTXCID80113788634-836-82-(4-bromophenyl)acetyl chloride(4-Bromophenyl)acetyl chloride(4-bromo-phenyl)-acetyl chlorideMFCD001268424-bromophenylacetic acid chloride

Show more names

SKL13052-(4-bromophenyl)ethanoyl chloride(4-Bromo-phenyl)-acetyl chloride ,95%

p-bromophenylacetyl chloride2-(4-bromophenyl)acetic acid chloride(4-Bromophenyl)acetylchloride4-Bromophenyl acetyl chlorideBenzeneacetyl chloride,4-bromo-4-bromophenyl acetylchloride4--bromophenylacetyl chloride4-bromo-phenylacetyl chloride

Database identifiers

CAS: 37859-24-8
PubChem CID: 181552
DTXSID: DTXSID70191297
EC Number: 634-836-8
Nikkaji: J1.181.609F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Boiling point: 180 · 180-185°C/10mm
Density: 1.573 g/mL · 1.573 g/mL at 25 °C
Flash point: 110 ℃ · >110℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
CAS DataBase Reference: 37859 · 37859-24-8(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
ridadr: 3265
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
Hazard statements: H302-H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses4-Bromophenylacetyl chloride is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.