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CAS Number: 19812-93-2
4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile

Structure

4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile
Name: 4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile
Synonyms:
General Information
Product Number: 19812932
CAS Registry Number: 19812-93-2
Name:
        [1,​1'-​Biphenyl]​-​4-​carbonitrile, 4'-​hydroxy-
        4-​Biphenylcarbonitrile​, 4'-​hydroxy- (8CI); 4-​(4-​Cyanophenyl)​phenol; 4-​(4-​Hydroxyphenyl)​benzonitrile; 4-​(4'-​Cyanophenyl)​phenol; 4-​Cyano-​4'-​hydroxybiphenyl; 4-​Hydroxy-​4'-​cyanobiphenyl; 4'-​Cyano-​4-​biphenol; 4'-​Cyano-​4-​hydroxybiphenyl; 4'-​Cyanobiphenyl-​4-​ol; 4'-​Hydroxy-​4-​biphenylcarbonitrile; 4'-​Hydroxy-​4-​biphenylylcarbonitri​le; 4'-​Hydroxy-​4-​cyano-​1,​1'-​biphenyl; 4'-​Hydroxy-​4-​cyanobiphenyl; 4'-​Hydroxy[1,​1'-​biphenyl]​-​4-​carbonitrile; 4'-​Hydroxybiphenyl-​4-​nitrile 
 
Chemical Formula: C13H9NO
Exact Mass: 195.07
Molecular Weight: 195.22
m/z: 195.07 (100.0%), 196.07 (14.6%)
Elemental Analysis: C, 79.98; H, 4.65; N, 7.17; O, 8.20
 
InChI: InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
InChIKey: ZRMIETZFPZGBEB-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O
 
Thermal Properties Value Condition Note
Melting Point 195.5-197.5 °C   (5)IC
Melting Point 193-194 °C (sublm)   (6)CAS
Melting Point 182-186 °C   (7)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  3. (3) Britton, Doyle; Acta Crystallographica, Section C: Crystal Structure Communications 2005, VC61(1), Po35-o37 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Ruoliene, J.; Zhurnal Organicheskoi Khimii 1984, V20(6), P1310-14 CAPLUS
  6. (6) Cymerman-Craig, J.; Journal of the Chemical Society 1956, P100-3 CAPLUS
  7. (7) Edsall, Richard J.; Bioorganic & Medicinal Chemistry 2003, V11(16), P3457-3474 CAPLUS
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