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270709

Sigma-Aldrich

Benzene

suitable for HPLC, ≥99.9%

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

vapor density

2.77 (vs air)

Quality Level

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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Pyridine

assay

≥99.9%

assay

≥99.9%

assay

≥99.9%

assay

≥99.9%

application(s)

food and beverages

application(s)

food and beverages

application(s)

food and beverages

application(s)

food and beverages

UV absorption

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

UV absorption

λ: 270 nm Amax: 1.00, λ: 280 nm Amax: 0.30, λ: 290 nm Amax: 0.15, λ: 310 nm Amax: 0.05, λ: 320 nm Amax: 0.03, λ: 360-400 nm Amax: 0.01

UV absorption

λ: 330 nm Amax: 1.00, λ: 340 nm Amax: 0.10, λ: 350 nm Amax: 0.02, λ: 400 nm Amax: 0.01

UV absorption

λ: 305 nm Amax: 1.00, λ: 315 nm Amax: 0.15, λ: 335 nm Amax: 0.02, λ: 350-400 nm Amax: 0.01

autoignition temp.

1043 °F

autoignition temp.

914 °F

autoignition temp.

-

autoignition temp.

899 °F

impurities

≤0.02% water (Karl Fischer)

impurities

<0.030% water

impurities

≤0.5% water

impurities

<0.050% water

Biochem/physiol Actions

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

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signalword

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

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

12.2 °F - closed cup

flash_point_c

-11.0 °C - closed cup


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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)
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)
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
Filamentous growth of carbon through benzene decomposition.
Oberlin A, et al.
Journal of Crystal Growth, 32(3), 335-349 (1976)

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