12553
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
EC Number:
200-753-7
UNSPSC Code:
12352002
PubChem Substance ID:
Beilstein/REAXYS Number:
969212
MDL number:
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
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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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
WGK 3
flash_point_f
12.2 °F
flash_point_c
-11 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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