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CAS Number: 3939-09-1
2,4-difluorobenzonitrile

Structure

2,4-difluorobenzonitrile
Name: 2,4-difluorobenzonitrile
Synonyms:
General Information
Product Number: 3939091

CAS Registry Number 3939-09-1
Name:
Benzonitrile, 2,​4-​difluoro-
2,4-Difluorobenzonitrile

 

Chemical Formula: C7H3F2N
Exact Mass: 139.02
Molecular Weight: 139.10
m/z: 139.02 (100.0%), 140.03 (7.6%)

 

InChI:InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

InChI Key:LJFDXXUKKMEQKE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1F)F)C#N

 

Thermal Properties Value Condition Note
Melting Point 126.2-128.9 °C   (5)CAS
Melting Point 46 °C   (7)CAS

Specification

98%

References
  1. (5) Huang, Kenneth H.; Journal of Medicinal Chemistry 2009, V52(14), P4288-4305 CAPLUS
  2. (7) Finger, G. C.; Chemical Communications (London) 1965, (18), P430-1 CAPLUS
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