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Key Documents

V800091

Sigma-Aldrich

Bromobenzene

LR, ≥99%

Synonym(s):

1-Bromobenzene, Bromobenzol, Monobromobenzene, Phenyl bromide

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About This Item

Empirical Formula (Hill Notation):
C6H5Br
CAS Number:
Molecular Weight:
157.01
Beilstein:
1236661
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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grade

LR

Quality Level

vapor density

5.41 (vs air)

vapor pressure

10 mmHg ( 40 °C)

product line

Vetec

Assay

≥99%

autoignition temp.

1051 °F

expl. lim.

36.5 %

refractive index

n20/D 1.559 (lit.)

bp

156 °C (lit.)

mp

−31 °C (lit.)

density

1.491 g/mL at 25 °C (lit.)

functional group

bromo

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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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51.0 °C - closed cup


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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
Xiaolin Pan et al.
Organic & biomolecular chemistry, 10(10), 1969-1975 (2012-01-26)
Diverse 11H-indeno[1,2-c]quinolines are produced via a palladium-catalyzed three-component reaction of 2-alkynylbromobenzene, 2-alkynylaniline, and electrophile. This conversion tolerates a wide variety of functionality and substitution patterns on the 11H-indeno[1,2-c]quinoline ring.
Hiroyuki Asakura et al.
The journal of physical chemistry. A, 116(16), 4029-4034 (2012-04-14)
A homocoupling reaction mechanism of bromobenzene mediated by the [Ni(cod)(bpy)] (cod = 1,5-cyclooctadiene; bpy = 2,2'-bipyridine) complex was investigated by means of in situ time-resolved X-ray absorption fine structure (XAFS) and factor analysis. A dimer intermediate [Ni(bpy)(Ph)Br](2) proposed in the
Lukas Werner et al.
The Journal of organic chemistry, 76(24), 10050-10067 (2011-10-20)
Four generations of chemoenzymatic approaches to oseltamivir are presented. The first two generations relied on the use of cyclohexadiene-cis-diol derived enzymatically from bromobenzene. The third and fourth generation used the corresponding diol obtained from ethyl benzoate by fermentation with E.
S S Lau et al.
Life sciences, 42(13), 1259-1269 (1988-01-01)
The metabolism and toxicity of bromobenzene has been investigated for well over one hundred years. The urinary excretion of mercapturic acids was first reported in 1879, in animals treated with bromobenzene. Bromobenzene has since proven to be a valuable tool

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