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294098 Sigma-Aldrich

Benzonitrile

anhydrous, ≥99%

Synonym: Phenyl cyanide

  • CAS Number 100-47-0

  • Linear Formula C6H5CN

  • Molecular Weight 103.12

  •  Beilstein/REAXYS Number 506893

  •  EC Number 202-855-7

  •  MDL number MFCD00001770

  •  eCl@ss 39031505

  •  PubChem Substance ID 57648369

  •  NACRES NA.21

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Properties

Related Categories Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents,
Quality Level   100
grade   anhydrous
assay   ≥99%
form   liquid
expl. lim.   0.34-6.3 %
impurities   <0.003% water
  <0.005% water (100 mL pkg)
evapn. residue   <0.0003%
refractive index   n20/D 1.528 (lit.)
bp   191 °C (lit.)
mp   −13 °C (lit.)
SMILES string   N#Cc1ccccc1
InChI   1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChI key   JFDZBHWFFUWGJE-UHFFFAOYSA-N

Description

Application

Benzonitrile may be used in the synthesis of organic building blocks such as 2-cyclopentylacetophenone, 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline. It may also be used as a solvent in the synthesis of bis(trifluoromethyl)diazomethane.

Packaging

1 L in Sure/Seal™

100 mL in Sure/Seal™

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
RIDADR 
UN 2224 6.1 / PGII
WGK Germany 
WGK 1
Flash Point(F) 
158.0 °F - closed cup
Flash Point(C) 
70 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

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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