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12553

Sigma-Aldrich

Benzene

puriss., absolute, over molecular sieve (H2O ≤0.005%), ≥99.5% (GC)

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About This Item

Empirical Formula (Hill Notation):
C6H6
CAS Number:
Molecular Weight:
78.11
Beilstein:
969212
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:

vapor density

2.77 (vs air)

vapor pressure

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

grade

absolute
puriss.

Assay

≥99.5% (GC)

form

liquid

autoignition temp.

1043 °F

quality

over molecular sieve (H2O ≤0.005%)

expl. lim.

8 %

refractive index

n20/D 1.501 (lit.)
n20/D 1.501

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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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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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)
Benzene forms hydrogen bonds with water.
Suzuki S, et al.
Science, 257(5072), 942-945 (1992)
Filamentous growth of carbon through benzene decomposition.
Oberlin A, et al.
Journal of Crystal Growth, 32(3), 335-349 (1976)
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
John C Thomas et al.
ACS nano, 9(5), 4734-4742 (2015-04-14)
Carboranethiol molecules self-assemble into upright molecular monolayers on Au{111} with aligned dipoles in two dimensions. The positions and offsets of each molecule's geometric apex and local dipole moment are measured and correlated with sub-Ångström precision. Juxtaposing simultaneously acquired images, we

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