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CAS Number: 31938-07-5
2-(3-bromophenyl)acetonitrile

Structure

2-(3-bromophenyl)acetonitrile
Name: 2-(3-bromophenyl)acetonitrile
Synonyms:
General Information
Product Number: 31938075

CAS Registry Number 31938-07-5
Name:
Benzeneacetonitrile, 3-?bromo-
Acetonitrile, (m-bromophenyl)- (8CI)
3-Bromobenzeneacetonitrile
(3-Bromophenyl)acetonitrile
1-Bromo-3-cyanomethylbenzene
2-(3-Bromophenyl)acetonitrile

 

Chemical Formula: C8H6BrN
Exact Mass: 194.97
Molecular Weight: 196.04
m/z: 194.97 (100.0%), 196.97 (97.3%), 195.97 (9.1%), 197.97 (8.5%)

 

InChI:InChI=1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

InChI Key:UUZYFBXKWIQKTF-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 140-142 °C Press: 8 Torr (1)CAS
Boiling Point 136-138 °C Press: 10 Torr (2)CAS
Boiling Point 135-138 °C Press: 8 Torr (3)CAS
Boiling Point 135-138 °C Press: 8 Torr (4)CAS

Specification

98%

References
  1. (1) Misra, G. S.; Journal of the Indian Chemical Society 1951, V28, P480-2 CAPLUS
  2. (2) Cao, Yu-Qing; Organic Chemistry: An Indian Journal 2008, V4(1), P32-35 CAPLUS
  3. (3) Charpentier, Paul; US 2570024 1951 CAPLUS
  4. (4) Charpentier, P.; FR 980507 1951 CAPLUS
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