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270709

Sigma-Aldrich

Benzene

suitable for HPLC, ≥99.9%

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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:
12190000
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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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


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Specified Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

270709-2.5L:
270709-4X2.5L:
270709-2L:4548173128177
270709-6X800ML:
270709-6X500ML:
270709-10L:
270709-4L:4548173128184
270709-4X4L:4548173128191
270709-6X1L:4548173128207
270709-500ML:
270709-100ML:4548173128153
270709-4L-CB:
270709-16L:
270709-BULK:
270709-1L:4548173128160
270709-VAR:
270709-4X4L-CB:


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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)
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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