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319953

Sigma-Aldrich

Benzene

≥99.0%, ACS reagent

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Empirical Formula (Hill Notation):
C6H6
CAS Number:
71-43-2
Molecular Weight:
78.11
Beilstein:
969212
EC Number:
200-753-7
MDL number:
MFCD00003009
PubChem Substance ID:
329753940
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

2.77 (vs air)

vapor pressure

166 mmHg ( 37.7 °C)
74.6 mmHg ( 20 °C)

Assay

≥99.0%

form

liquid

autoignition temp.

1043 °F

expl. lim.

8 %

impurities

H2SO4, passes test (darkened)
 thiophene, passes test (limit ∼1ppm)
≤0.005% S compounds
≤0.05% water (Karl Fischer)

evapn. residue

≤0.001%

color

APHA: ≤10

refractive index

n20/D 1.501 (lit.)

bp

80 °C (lit.)

mp

5.5 °C (lit.)

density

0.874 g/mL at 25 °C (lit.)

SMILES string

c1ccccc1

InChI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI key

UHOVQNZJYSORNB-UHFFFAOYSA-N

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General description

Benzene is a monocyclic aromatic compound used as a solvent in chemical reactions. It is an essential raw material for fuels, rubber and plastics products, detergents, pesticides, and pharmaceuticals.

Application

Benzene can be used as a solvent in the:
  • Heck Reaction of vinyl bromides with styrenes to synthesize functionalized 1,3-dienes.
  • Gallium-catalyzed reductive lactonization of γ-keto acids to γ-lactone derivatives.
  • Anionic polymerization of styrene and 1,3-butadiene in the presence of phosphazene as a base.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

Target Organs

Blood

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

12.2 °F

Flash Point(C)

-11 °C

Regulatory Information

危险化学品

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Jelle Vlaanderen et al.
Environmental health perspectives, 119(2), 159-167 (2010-10-01)
The use of occupational cohort studies to assess the association of benzene and lymphoma is complicated by problems with exposure misclassification, outcome classification, and low statistical power. We performed meta-analyses of occupational cohort studies for five different lymphoma categories: Hodgkin
Cliona M McHale et al.
Carcinogenesis, 33(2), 240-252 (2011-12-15)
Benzene causes acute myeloid leukemia and probably other hematological malignancies. As benzene also causes hematotoxicity even in workers exposed to levels below the US permissible occupational exposure limit of 1 part per million, further assessment of the health risks associated
Scott M Arnold et al.
Critical reviews in toxicology, 43(2), 119-153 (2013-01-26)
Abstract A framework of "Common Criteria" (i.e. a series of questions) has been developed to inform the use and evaluation of biomonitoring data in the context of human exposure and risk assessment. The data-rich chemical benzene was selected for use
Paula Mayorga Burrezo et al.
Journal of the American Chemical Society, 137(11), 3834-3843 (2015-03-03)
We have used Raman spectroscopy to study the molecular and electronic structures of the radical cations and dications of carbon-bridged oligo(para-phenylenevinylene)s (COPVn, n = 1-6) possessing consecutive fused pentagons and hexagons, up to 19, along with COPV derivatives having electron-donating
David Galbraith et al.
Critical reviews in toxicology, 40 Suppl 2, 1-46 (2010-10-14)
Over the last century, benzene has been a well-studied chemical, with some acute and chronic exposures being directly associated with observed hematologic effects in humans and animals. Chronic heavy exposures to benzene have also been associated with acute myelogenous leukemia
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