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CAS Number: 32111-34-5
4-(pyridin-2-yl)benzonitrile

Structure

4-(pyridin-2-yl)benzonitrile
Name: 4-(pyridin-2-yl)benzonitrile
Synonyms:
General Information
Product Number: 32111345
CAS Registry Number: 32111-34-5
Name:
        Benzonitrile, 4-​(2-​pyridinyl)​-
        Benzonitrile, p-​2-​pyridyl- (4CI); 4-​(2-​Pyridinyl)​benzonitrile 
 
Chemical Formula: C12H8N2
Exact Mass: 180.07
Molecular Weight: 180.21
m/z: 180.07 (100.0%), 181.07 (13.7%)
Elemental Analysis: C, 79.98; H, 4.47; N, 15.55
 
InChI: InChI=1S/C12H8N2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H
InChIKey: CCMRFUCSFRRPNT-UHFFFAOYSA-N
Canonical SMILES : C1=CC=NC(=C1)C2=CC=C(C=C2)C#N
 
Thermal Properties Value Condition Note
Melting Point 91-92 °C   (4)CAS
Melting Point See full text   (7)CAS

Specification

98%

References
  1. (1) Reddy, C. Bhupendra; Organic Chemistry: An Indian Journal 2011, V7(2), P85-89 CAPLUS
  2. (2) Knapp, David M.; Journal of the American Chemical Society 2009, V131(20), P6961-6963 CAPLUS
  3. (3) Gosmini, Corinne; Tetrahedron 2009, V65(31), P6141-6146 CAPLUS
  4. (4) Billingsley, Kelvin L.; Angewandte Chemie, International Edition 2008, V47(25), P4695-4698 CAPLUS
  5. (5) Kim, Seung-Hoi; Tetrahedron Letters 2009, V50(38), P5329-5331 CAPLUS
  6. (6) Kim, Seung-Hoi; Tetrahedron 2010, V66(17), P3135-3146 CAPLUS
  7. (7) Chen, Kun; Inorganic Chemistry 2013, V52(22), P12863-12865 CAPLUS
  8. (8) Trova, Michael Peter; WO 2003022805 A2 2003 CAPLUS
  9. (9) Trova, Michael Peter; WO 2003022219 A2 2003 CAPLUS
  10. (10) Okuda, Fumio; WO 2005003095 A1 2005 CAPLUS
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