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CAS Number: 400820-15-7
2'-fluoro-[1,1'-biphenyl]-2-carbonitrile

Structure

 2'-fluoro-[1,1'-biphenyl]-2-carbonitrile
Name: 2'-fluoro-[1,1'-biphenyl]-2-carbonitrile
Synonyms:
General Information
Product Number: 400820157

CAS Registry Number 400820-15-7
Name:
[1,?1'-?Biphenyl]?-?2-?carbonitrile, 2'-?fluoro-
2'-Fluoro-1,1'-biphenyl-2-carbonitrile
2'-Fluorobiphenyl-2-carbonitrile

 

Chemical Formula: C13H8FN
Exact Mass: 197.06
Molecular Weight: 197.21
m/z: 197.06 (100.0%), 198.07 (14.2%)

 

InChI:InChI=1S/C24H18Cl3FN2O4/c1-33-21-8-5-14(9-22(21)34-2)20-12-24(32,16-10-19(28)18(27)11-17(16)26)30(29-20)23(31)13-3-6-15(25)7-4-13/h3-11,32H,12H2,1-2H3

InChI Key:IHJZVNYULAZNOD-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl)OC

 

Thermal Properties Value Condition Note
Melting Point 174 °C   (1)CAS
Melting Point 83-84 °C   (2)CAS

Specification

98%
References
  1. (1) Cailly, Thomas; Tetrahedron 2006, V62(25), P5862-5867 CAPLUS
  2. (2) Dubost, Emmanuelle; Tetrahedron 2010, V66(27-28), P5008-5016 CAPLUS
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