4-Methoxybenzyl cyanide

4-Methoxybenzyl cyanide Basic information
Product Name:4-Methoxybenzyl cyanide
Synonyms:2-(4-METHOXYPHENYL)ACETONITRILE;ANISYL CYANIDE;4-METHOXYBENZENEACETONITRILE;Acetonitrile, (p-methoxypenyl)-;Acetonitrile, (p-methoxyphenyl)-;Anisylacetonitrile;p-Methoxybenzeneacetonitrile;4-Methyoxy phenylacetonitrile
CAS:104-47-2
MF:C9H9NO
MW:147.17
EINECS:203-206-0
Product Categories:Phenyls & Phenyl-Het;Nitriles;Aromatic Nitriles;Phenyls & Phenyl-Het;Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
Mol File:104-47-2.mol
4-Methoxybenzyl cyanide Structure
4-Methoxybenzyl cyanide Chemical Properties
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.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility 0.01g/l
form Liquid
color Clear colorless to slightly yellow
Specific Gravity1.085
PH4.5 (100g/l, H2O, 20℃)suspension
explosive limit1.2-9.4%(V)
BRN 509162
Exposure limitsNIOSH: IDLH 25 mg/m3
InChIKeyPACGLQCRGWFBJH-UHFFFAOYSA-N
CAS DataBase Reference104-47-2(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneacetonitrile, 4-methoxy-(104-47-2)
EPA Substance Registry SystemBenzeneacetonitrile, 4-methoxy- (104-47-2)
Safety Information
Hazard Codes Xn,T,Xi
Risk Statements 20/21/22-36/37/38-52/53-25
Safety Statements 26-37/39-36/37-61-45-36
RIDADR UN 3276 6.1/PG 3
WGK Germany 3
RTECS AM0810000
8
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29269095
MSDS Information
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4-Methoxybenzyl cyanide Usage And Synthesis
Chemical PropertiesClear colorless to slightly yellow liquid
Uses4-Methoxybenzyl cyanide is used in the biosynthesis of p-methoxyphenylacetic acid by immobilized Bacillus subtilis ZJB-063.
Uses4-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 Description4-Methoxyphenylacetonitrile has been isolated from the sponge Psammaplysilla purpurea.
4'-Methoxyacetophenone 4-Methoxyphenylacetic acid 4-Phenoxyphenylacetonitrile 4-ETHOXY-3-METHOXYPHENYLACETONITRILE 4-Methoxybenzyl cyanide 3,4-(Methylenedioxy)phenylacetonitrile (4-METHOXY-PHENYL)-MORPHOLIN-4-YL-ACETONITRILE 3,4,5-Trimethoxyphenylacetonitrile 2-Bromo-4,5-dimethoxyphenylacetonitrile (3,4-Dimethoxyphenyl)acetonitrile Methoxy (3-Methoxyphenyl)acetonitrile 4-ETHOXYPHENYLACETONITRILE 3-BROMO-4-METHOXYBENZYL CYANIDE 4-Benzyloxy-3-methoxybenzyl cyanide 1-(4-METHOXY-PHENYL)-CYCLOPROPANECARBONITRILE 4-Benzyloxyphenylacetonitrile 1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE

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