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401765 Sigma-Aldrich

Benzene

anhydrous, 99.8%

  • CAS Number 71-43-2

  • Empirical Formula (Hill Notation) C6H6

  • Molecular Weight 78.11

  •  Beilstein/REAXYS Number 969212

  •  EC Number 200-753-7

  •  MDL number MFCD00003009

  •  PubChem Substance ID 57649920

  •  NACRES NA.21

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Properties

Related Categories Anhydrous, Anhydrous Solvents, Benzene and Benzene Solutions, Returnable Containers, Solvent by Type,
Quality Level   200
grade   anhydrous
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 %
application(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.)
storage temp.   room temp
SMILES string   c1ccccc1
InChI   1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI key   UHOVQNZJYSORNB-UHFFFAOYSA-N

Description

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.

Packaging

1, 6×1, 2 L in Sure/Seal™

100, 12×100 mL in Sure/Seal™

View returnable container options.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Blood
RIDADR 
UN1114 - class 3 - PG 2 - Benzene
WGK Germany 
WGK 3
RTECS 
CY1400000
Flash Point(F) 
12.2 °F
Flash Point(C) 
-11 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Anhydrous Solvents for Coupling Reactions

Due to the sensitivity to air and moisture, coupling reactions often require relatively low air and water conditions to initiate the reaction. Therefore, the use of anhydrous solvents is highly recom...
Keywords: Coupling reactions, Cross couplings, Negishi Coupling, Solvents

Anhydrous Solvents for Organic and Organometallic Chemistry

Many well-known reactions require water-free conditions to initiate or complete the reaction. Failure to include anhydrous solvents can result in low product yield or reaction failure. As the market ...
Keywords: Acylations, Alkylations, Electrophilic aromatic substitution, Formylations, Grignard Reaction, Solvents, Substitutions, Vilsmeier-Haack reaction

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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