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CAS Number: 57775-08-3
3-(4-bromophenyl)propanenitrile

Structure

3-(4-bromophenyl)propanenitrile
Name: 3-(4-bromophenyl)propanenitrile
Synonyms:
General Information
Product Number: 57775083

CAS Registry Number 57775-08-3
Name:
Benzenepropanenitril​e, 4-​bromo-
3-(4-Bromophenyl)propanenitrile
3-(4-Bromophenyl)propionitrile

 

Chemical Formula: C9H8BrN
Exact Mass: 208.98
Molecular Weight: 210.07
m/z: 208.98 (100.0%), 210.98 (97.3%), 209.99 (9.8%), 211.99 (9.6%)

 

InChI:InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2

InChI Key:QAWLKTDBUQOFEF-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CCC#N)Br

 

Thermal Properties Value Condition Note
Boiling Point 116 °C Press: 0.05 Torr (1)IC

Specification

98%

References
  1. (1) Parham, William E.; Journal of Organic Chemistry 1976, V41(7), P1187-91 CAPLUS
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