Merck
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270709

Sigma-Aldrich

Benzene

suitable for HPLC, ≥99.9%

Empirical Formula (Hill Notation):
C6H6
CAS Number:
Molecular Weight:
78.11
Beilstein:
969212
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor density

2.77 (vs air)

vapor pressure

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

assay

≥99.9%

form

liquid

autoignition temp.

1043 °F

expl. lim.

8 %

technique(s)

HPLC: suitable

impurities

≤0.02% water (Karl Fischer)

evapn. residue

<0.0005%

color

APHA: ≤20

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.)

λ

H2O reference

UV absorption

λ: 280 nm Amax: 1.0
λ: 290 nm Amax: 0.15
λ: 300 nm Amax: 0.06
λ: 330 nm Amax: 0.02
λ: 350-400 nm Amax: 0.01

application(s)

food and beverages

SMILES string

c1ccccc1

InChI

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

Inchi Key

UHOVQNZJYSORNB-UHFFFAOYSA-N

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Packaging

4×4 L in glass bottle
1, 6×1, 2 L in glass bottle
4×4 L in PVC-coated bottle
100 mL in glass bottle

Biochem/physiol Actions

Environmental carcinogen; hematoxin that is linked to increased incidence of leukemia in humans.

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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 - closed cup

Flash Point(C)

-11.0 °C - closed cup

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Luoping Zhang et al.
Critical reviews in toxicology, 32(1), 1-42 (2002-02-16)
Benzene is an established cause of human leukemia that is thought to act by producing chromosomal aberrations and altered in cell differentiation. In several recent studies increased levels of chromosomal aberrations in peripheral blood lymphocytes were correlated with a heightened
Benzene forms hydrogen bonds with water.
Suzuki S, et al.
Science, 257(5072), 942-945 (1992)
M Kiguchi et al.
Physical review letters, 101(4), 046801-046801 (2008-09-04)
Highly conductive molecular junctions were formed by direct binding of benzene molecules between two Pt electrodes. Measurements of conductance, isotopic shift in inelastic spectroscopy, and shot noise compared with calculations provide indications for a stable molecular junction where the benzene
Use of the CNDO method in spectroscopy. I. Benzene, pyridine, and the diazines.
Del Bene J and Jaffe HH.
J. Chem. Phys. , 48(44), 1807-1813 (1968)
Filamentous growth of carbon through benzene decomposition.
Oberlin A, et al.
Journal of Crystal Growth, 32(3), 335-349 (1976)

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