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HomeProduct name list4-Methoxybenzyl cyanide

4-Methoxybenzyl cyanide

Synonym(s):4-Methoxybenzyl cyanide

  • CAS NO.:104-47-2
  • Empirical Formula: C9H9NO
  • Molecular Weight: 147.17
  • MDL number: MFCD00001919
  • EINECS: 203-206-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2025-01-27 09:38:02
4-Methoxybenzyl cyanide Structural

What is 4-Methoxybenzyl cyanide?

Chemical properties

Clear colorless to slightly yellow liquid

The Uses of 4-Methoxybenzyl cyanide

4-Methoxybenzyl cyanide is used in the biosynthesis of p-methoxyphenylacetic acid by immobilized Bacillus subtilis ZJB-063.

The Uses of 4-Methoxybenzyl cyanide

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

Synthesis Reference(s)

Journal of Medicinal Chemistry, 15, p. 214, 1972 DOI: 10.1021/jm00272a029
Synthesis, p. 40, 1987 DOI: 10.1055/s-1987-27834

General Description

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

Properties of 4-Methoxybenzyl cyanide

Melting point: 8 °C
Boiling point: 286-287 °C (lit.)
Density  1.085 g/mL at 25 °C (lit.)
refractive index  n20/D 1.531(lit.)
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  0.01g/l
form  Liquid
color  Clear colorless to slightly yellow
Specific Gravity 1.085
PH 4.5 (100g/l, H2O, 20℃)suspension
explosive limit 1.2-9.4%(V)
BRN  509162
Exposure limits NIOSH: IDLH 25 mg/m3
CAS DataBase Reference 104-47-2(CAS DataBase Reference)
NIST Chemistry Reference Benzeneacetonitrile, 4-methoxy-(104-47-2)
EPA Substance Registry System Benzeneacetonitrile, 4-methoxy- (104-47-2)

Safety information for 4-Methoxybenzyl cyanide

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

Computed Descriptors for 4-Methoxybenzyl cyanide

InChIKey PACGLQCRGWFBJH-UHFFFAOYSA-N

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