• USA Home
  • 345016 - 2-Methyl-5-nitrobenzonitrile

EMAIL THIS PAGE TO A FRIEND
345016 Sigma-Aldrich

2-Methyl-5-nitrobenzonitrile

97%

Synonym: 5-Nitro-o-tolunitrile

  • CAS Number 939-83-3

  • Linear Formula O2NC6H3(CH3)CN

  • Molecular Weight 162.15

  •  MDL number MFCD00017040

  •  PubChem Substance ID 24861288

  •  NACRES NA.22

Purchase

Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   97%
mp   103.5-107.5 °C (lit.)
solubility   ethanol: soluble(lit.)
SMILES string   Cc1ccc(cc1C#N)[N+]([O-])=O
InChI   1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChI key   XOSDYLFXPMFRGF-UHFFFAOYSA-N

Description

General description

2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile. It is formed by nitration of o-toluonitrile with NO2+BF4-. Crystal structure of 2-methyl-5-nitrobenzonitrile is stabilized by van der Waals interactions.

Application

2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

Please Enter a Lot Number

Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

Related Products

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?