CAS 7500-66-5 1-Benzoyl-1-bromocyclohexane (HCID 344797)

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Basic information

CAS: 7500-66-5
Standard SMILES: O=C(c1ccccc1)C1(Br)CCCCC1
InChIKey: PCGUFFXUXWUSJJ-UHFFFAOYSA-N
Molecular formula: C13H15BrO
Average molar mass: 267.16 g/mol
Monoisotopic mass: 266.0306272

Names & identifiers

Preferred name: 1-Benzoyl-1-bromocyclohexane
IUPAC: (1-bromocyclohexyl)-phenylmethanone
English name: 1-Benzoyl-1-bromocyclohexane
Molecular formula: C13H15BrO
Molecular weight: 267.16

Names & synonyms

1-BENZOYL-1-BROMOCYCLOHEXANE7500-66-5DTXSID40322718RefChem:227847DTXCID40273837661-396-4(1-bromocyclohexyl)-phenylmethanone(1-Bromocyclohexyl)phenylmethanone(1-Bromocyclohexyl)(phenyl)methanoneNSC401907SCHEMBL1446377(1-Bromocyclohexyl)phenyl ketone

Show more names

Methanone, (1-bromocyclohexyl)phenyl-

PCGUFFXUXWUSJJ-UHFFFAOYSA-NAKOS024340993NSC-401907

Database identifiers

CAS: 7500-66-5
PubChem CID: 344797
DTXSID: DTXSID40322718
EC Number: 661-396-4

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 52.2 · 52.2-52.8 °C
Boiling point: 330.9 · 330.9±25.0 °C(Predicted)
Density: 1.361 · 1.361±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses(1-Bromocyclohexyl)phenylmethanone is an intermediate in the synthesis of 1-Cyclohexenyl Phenyl Ketone (C992550), a useful reactant in the synthesis of cyclopentanone enol ethers.