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119776 Sigma-Aldrich

o-Tolunitrile

98%

Synonym: 2-Methylbenzonitrile

  • CAS Number 529-19-1

  • Linear Formula CH3C6H4CN

  • Molecular Weight 117.15

  •  Beilstein/REAXYS Number 1857417

  •  EC Number 208-451-7

  •  MDL number MFCD00001792

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Properties

assay   98%
refractive index   n20/D 1.5279 (lit.)
bp   205 °C (lit.)
mp   −13-−11 °C (lit.)
density   0.989 g/mL at 25 °C (lit.)
SMILES string   Cc1ccccc1C#N
InChI   1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChI key   NWPNXBQSRGKSJB-UHFFFAOYSA-N
Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
WGK Germany 
2
RTECS 
XV0600000
Flash Point(F) 
179.6 °F
Flash Point(C) 
82 °C
Protocols & Articles
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Description

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89660 o-Tolunitrile, ≥97.0% (GC)

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