135194
Bromocyclohexane
98%
Synonyme(s) :
Cyclohexyl bromide
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A propos de cet article
Formule empirique (notation de Hill) :
C6H11Br
Numéro CAS:
Poids moléculaire :
163.06
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-622-2
Beilstein/REAXYS Number:
1098373
MDL number:
Assay:
98%
Form:
liquid
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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
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.
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Classe de stockage
10 - Combustible liquids
wgk
WGK 3
flash_point_f
145.4 °F - closed cup
flash_point_c
63 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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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
Alkylation on graphite in the absence of Lewis acids.
Sereda GA.
Tetrahedron Letters, 45(39), 7265-7267 (2004)
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.