135194

Bromocyclohexane

98%

• Synonym(s): Cyclohexyl bromide
• Empirical Formula (Hill Notation): C₆H₁₁Br
• CAS Number: 108-85-0
• Molecular Weight: 163.06
• Beilstein: 1098373
• EC Number: 203-622-2
• MDL number: MFCD00003819
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848205
• NACRES: NA.22

Properties

• Assay: 98%
• form: liquid
• refractive index: n20/D 1.495 (lit.)
• bp: 166-167 °C (lit.)
• solubility: H₂O: insoluble; alcohol: soluble
• density: 1.324 g/mL at 25 °C (lit.)
• SMILES string: BrC1CCCCC1
• InChI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
• InChI key: AQNQQHJNRPDOQV-UHFFFAOYSA-N

Description

General description

Axial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.

Application

Bromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.

Safety Information

• Pictograms: GHS09
• Hazard Statements: H411
• Precautionary Statements: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves