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132330 Sigma-Aldrich

p-Tolunitrile

98%

Synonym: 4-Methylbenzonitrile

  • CAS Number 104-85-8

  • Linear Formula CH3C6H4CN

  • Molecular Weight 117.15

  •  Beilstein/REAXYS Number 507386

  •  EC Number 203-244-8

  •  MDL number MFCD00001827

  •  PubChem Substance ID 24848050

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   200
assay   98%
bp   103-106 °C/20 mmHg (lit.)
  217 °C (lit.)
mp   26-28 °C (lit.)
solubility   alcohol: very soluble
  diethyl ether: very soluble
  water: insoluble
density   0.981 g/mL at 25 °C (lit.)
SMILES string   Cc1ccc(cc1)C#N
InChI   1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChI key   VCZNNAKNUVJVGX-UHFFFAOYSA-N

Description

Packaging

25, 100, 500 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2
RTECS 
XV0700000

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Protocols & Articles
Peer-Reviewed Papers
15

References

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