169986

4-Methoxyphenylacetonitrile

97%

• Synonym(s): 4-Methoxybenzyl cyanide
• Linear Formula: CH₃OC₆H₄CH₂CN
• CAS Number: 104-47-2
• Molecular Weight: 147.17
• Beilstein: 509162
• EC Number: 203-206-0
• MDL number: MFCD00001919
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850283
• NACRES: NA.22

Properties

• 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

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301,H412
• Precautionary Statements: P273 - P301 + P310 + P330
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Chronic 3
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 242.6 °F - DIN 51758
• Flash Point(C): 117 °C - DIN 51758
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves