135194
Bromocyclohexane
98%
Synonym(s):
Cyclohexyl bromide
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About This Item
Empirical Formula (Hill Notation):
C6H11Br
CAS Number:
Molecular Weight:
163.06
Beilstein:
1098373
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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.)
functional group
bromo
SMILES string
BrC1CCCCC1
InChI
1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChI key
AQNQQHJNRPDOQV-UHFFFAOYSA-N
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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.
Hazard Statements
Precautionary Statements
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
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Shinya Hirano et al.
Chemical communications (Cambridge, England), (29)(29), 3646-3648 (2005-07-20)
The axial conformers of chloro- and bromocyclohexane were isolated in a pure state as inclusion complexes with 9,9'-bianthryl, and a 1,3 diaxial Cl...H weak interaction was discovered by X-ray analysis of the axial conformer of chlorocyclohexane.
Alkylation on graphite in the absence of Lewis acids.
Sereda GA.
Tetrahedron Letters, 45(39), 7265-7267 (2004)
Songhee Han et al.
The journal of physical chemistry. A, 114(37), 10005-10010 (2010-08-27)
Ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane is investigated with use of the vacuum ultraviolet mass-analyzed threshold ionization (MATI) spectroscopic technique. Two distinct ionization energies of 9.8308 ± 0.0025 and 9.8409 ± 0.0025 eV are determined for
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Angewandte Chemie (International ed. in English), 53(50), 13830-13834 (2014-11-05)
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