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CAS Number: 850565-37-6
2-(4-fluoro-3-methoxyphenyl)acetonitrile

Structure

2-(4-fluoro-3-methoxyphenyl)acetonitrile
Name: 2-(4-fluoro-3-methoxyphenyl)acetonitrile
Synonyms:
General Information
Product Number: 850565376

CAS Registry Number 850565-37-6
Name:
Benzeneacetonitrile, 4-​fluoro-​3-​methoxy-
(4-Fluoro-3-methoxyphenyl)acetonitrile

 

Chemical Formula: C9H8FNO
Exact Mass: 165.06
Molecular Weight: 165.16
m/z: 165.06 (100.0%), 166.06 (10.1%)

 

InChI:InChI=1S/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3

InChI Key:IWBUXMKSIMCUIX-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC(=C1)CC#N)F

 

Thermal Properties Value Condition Note
Boiling Point 158 °C Press: 10 Torr (1)CAS
Melting Point 49-50 °C   (1)CAS
Melting Point 48-49 °C Solv: ethanol (64-17-5) (2)CAS

Specification

98%

References
  1. (1) Kraft, Kurt; Chemische Berichte 1951, V84, P150-6 CAPLUS
  2. (2) Lock, G.; Monatshefte fuer Chemie 1955, V86, P511-16 CAPLUS
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