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401765

Sigma-Aldrich

Benzene

anhydrous, 99.8%

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

grade

anhydrous

Quality Level

vapor density

2.77 (vs air)

vapor pressure

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

Assay

99.8%

form

liquid

autoignition temp.

1043 °F

expl. lim.

8 %

technique(s)

toxicology assay: suitable

impurities

<0.001% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

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.)

SMILES string

c1ccccc1

InChI

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

InChI key

UHOVQNZJYSORNB-UHFFFAOYSA-N

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1 of 4

This Item
3199533221212540
vibrant-m

401765

Benzene

vibrant-m

319953

Benzene

vibrant-m

32212

Benzene

vibrant-m

12540

Benzene

Quality Level

200

Quality Level

200

Quality Level

100

Quality Level

100

assay

99.8%

assay

≥99.0%

assay

≥99.7%

assay

≥99.9% (GC)

impurities

<0.001% water, <0.005% water (100 mL pkg)

impurities

H2SO4, passes test (darkened), thiophene, passes test (limit ∼1ppm), ≤0.005% S compounds, ≤0.05% water (Karl Fischer)

impurities

≤0.0002% free alkali (as NH3), ≤0.0004% free acid (as HCl), ≤0.001% non-volatile matter, ≤0.03% water (Karl Fischer), ≤1 ppm thiophene

impurities

≤0.03% water
water

density

0.874 g/mL at 25 °C (lit.)

density

0.874 g/mL at 25 °C (lit.)

density

0.874 g/mL at 25 °C (lit.)

density

0.874 g/mL at 25 °C (lit.)

vapor density

2.77 (vs air)

vapor density

2.77 (vs air)

vapor density

2.77 (vs air)

vapor density

2.77 (vs air)

General description

Benzene is a six membered aromatic compound. The capability of superhalogen induced ionization of benzene molecules has been reported based on ab initio calculations. Benzene, a commonly used industrial solvent is also an air pollutant and a potent carcinogen.

Application

Benzene may be used in the following processes:
  • Formation of phenyl acetate by aerobic oxidation using Pd catalyst and acetic acid as solvent.
  • Formation of phenol by hydroxylation in the presence of mesoporous carbon nitride supported on vanadium catalyst.
  • As a solvent to prepare nanoparticles of gallium nitride (GaN) by reacting Li3N and GaCl3 at 280°C.

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

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.

EU REACH Annex XVII (Restriction List)

CAS No.

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Ionizing benzene with superhalogens.
Czapla M, et al.
Chemical Physics Letters, 619, 32-35 (2015)
Nicole M Taylor et al.
Microorganisms, 9(1) (2021-01-07)
The microbial degradation of recalcitrant hydrocarbons is an important process that can contribute to the remediation of oil and gas-contaminated environments. Due to the complex structure of subsurface terrestrial environments, it is important to identify the microbial communities that may
Palladium-catalyzed aerobic acetoxylation of benzene using NOx-based redox mediators.
Zultanski SL and Stahl SS.
Journal of Organometallic Chemistry, 793, 263-268 (2015)
Vanadia supported on mesoporous carbon nitride as a highly efficient catalyst for hydroxylation of benzene to phenol.
Xu J, et al.
Catalysis Science & Technology, 5(3), 1504-1513 (2015)
A benzene-thermal synthetic route to nanocrystalline GaN.
Xie Y, et al.
Science, 272(5270), 1926-1927 (1996)

Articles

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