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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/REAXYS Number:
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

signalword

Warning

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

123.8 °F - closed cup

flash_point_c

51.0 °C - closed cup


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DHTP ligands for the highly ortho-selective, palladium-catalyzed cross-coupling of dihaloarenes with grignard reagents: a conformational approach for catalyst improvement.
Shunpei Ishikawa et al.
Angewandte Chemie (International ed. in English), 49(4), 772-775 (2009-12-18)
Sergey Vshyvenko et al.
Bioorganic & medicinal chemistry letters, 21(16), 4750-4752 (2011-07-16)
The synthesis of two C-1 analogues of pancratistatin has been accomplished in 17 steps from bromobenzene. The key steps involved the enzymatic dihydroxylation, regioselective opening of epoxyaziridine 9 with the alane derived from 8, a solid-state silica-gel-catalyzed intramolecular opening of
Sriram Gopi et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48(8-9), 2170-2175 (2010-05-22)
The objective of the current study was to investigate the protective effect of an aqueous extract of Phyllanthus fraternus (AEPF) against bromobenzene induced mitochondrial dysfunction in rat liver mitochondria. Administration of bromobenzene (10 mmol/kg body wt.) significantly decreased the rate
Aiichiro Nagaki et al.
Chemical communications (Cambridge, England), 49(31), 3242-3244 (2013-03-15)
Reactions of functionalized aryllithiums with dialkyl oxalates were achieved using a flow microreactor to obtain α-keto esters with high selectivity by virtue of fast 1 : 1 micromixing.
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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