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169986 Sigma-Aldrich

4-Methoxyphenylacetonitrile

97%

Synonym: 4-Methoxybenzyl cyanide

  • CAS Number 104-47-2

  • Linear Formula CH3OC6H4CH2CN

  • Molecular Weight 147.17

  •  Beilstein/REAXYS Number 509162

  •  EC Number 203-206-0

  •  MDL number MFCD00001919

  •  PubChem Substance ID 24850283

  •  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   97%
refractive index   n20/D 1.531 (lit.)
bp   286-287 °C (lit.)
density   1.085 g/mL at 25 °C (lit.)
SMILES string   COc1ccc(CC#N)cc1
InChI   1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChI key   PACGLQCRGWFBJH-UHFFFAOYSA-N

Description

General description

4-Methoxyphenylacetonitrile has been isolated from the sponge Psammaplysilla purpurea.

Application

4-Methoxyphenylacetonitrile was used as starting reagent in the synthesis of :
• 2-(1-cyano-1-(2-methoxy)phenyl)methylidene-3-phenylthiazolidine-4,5-dione
• 2-(1-cyano-1-(4-methoxy)-phenyl)methylidene-3-phenylthiazolidine-4,5-dione
• α-cyanostilbenes

Packaging

25, 100 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3276 6.1 / PGIII
WGK Germany 
WGK 3
RTECS 
AM0810000
Flash Point(F) 
242.6 °F - DIN 51758
Flash Point(C) 
117 °C - DIN 51758

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Protocols & Articles
Peer-Reviewed Papers
15

References

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