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Sigma-Aldrich

Bromobenzene

≥99.5% (GC)

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Synonym(s):
1-Bromobenzene, Bromobenzol, Monobromobenzene, Phenyl bromide
Empirical Formula (Hill Notation):
C6H5Br
CAS Number:
108-86-1
Molecular Weight:
157.01
Beilstein:
1236661
EC Number:
203-623-8
MDL number:
MFCD00000055
UNSPSC Code:
12352100
PubChem Substance ID:
57647528
NACRES:
NA.22

vapor density

5.41 (vs air)

Quality Level

200

vapor pressure

10 mmHg ( 40 °C)

Assay

≥99.5% (GC)

form

liquid

autoignition temp.

1051 °F

expl. lim.

36.5 %

refractive index

n20/D 1.559 (lit.)
n20/D 1.559

bp

156 °C (lit.)

mp

−31 °C (lit.)

solubility

alcohol: soluble 10.4g/100g at 25 °C
diethyl ether: soluble 71.3g/100g at 25 °C
water: insoluble 0.045g/100g at 30 °C (practically)
benzene: miscible
chloroform: miscible
hydrocarbons: miscible (petr.)

density

1.491 g/mL at 25 °C (lit.)

SMILES string

Brc1ccccc1

InChI

1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

InChI key

QARVLSVVCXYDNA-UHFFFAOYSA-N

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Related Categories

Application

Bromobenzene was used in the synthesis of four-armed star chain transfer agent required for preparation of amphiphilic star graft copolymers.

Biochem/physiol Actions

Bromobenzene induces hepatic necrosis via the formation of a reactive metabolite that arylates vital cellular macromolecules.

Signal Word

Warning

Hazard Statements

H226,H315,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Star-like PAA-g-PPO well-defined amphiphilic graft copolymer synthesized by ATNRC and SET-NRC reaction.
Li Y, et al.
Journal of Polymer Science: Part A, General Papers, 48(10), 2084-2097 (2010)
Bromobenzene-induced liver necrosis. Protective role of glutathione and evidence for 3,4-bromobenzene oxide as the hepatotoxic metabolite.
D J Jollow et al.
Pharmacology, 11(3), 151-169 (1974-01-01)
Yuning Ma et al.
Environmental science & technology, 46(24), 13112-13117 (2012-11-28)
The 2,4,6-tribromophenoxy moiety is a common structural feature of several brominated flame retardants, and we have previously reported on the environmental concentrations of one such compound, 1,2-bis(2,4,6-tribromophenoxy) ethane (TBE). Here we report the atmospheric concentrations of TBE and three other
Verónica Guilarte et al.
Organic letters, 13(19), 5100-5103 (2011-09-03)
An efficient synthesis of thiophenes and benzo[b]thiophenes has been developed from easily available bromoenynes and o-alkynylbromobenzene derivatives. This novel one-pot procedure involves a Pd-catalyzed C-S bond formation using a hydrogen sulfide surrogate followed by a heterocyclization reaction. Moreover, in situ
Jožica Dolenc et al.
Journal of computer-aided molecular design, 25(8), 709-716 (2011-07-08)
Docking algorithms for computer-aided drug discovery and design often ignore or restrain the flexibility of the receptor, which may lead to a loss of accuracy of the relative free enthalpies of binding. In order to evaluate the contribution of receptor
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