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CAS Number: 97483-77-7
5-bromopicolinonitrile

Structure

5-bromopicolinonitrile
Name: 5-bromopicolinonitrile
Synonyms:
General Information
Product Number: 97483777

CAS Registry Number: 97483-77-7

Name:

2-​Pyridinecarbonitrile​, 5-​bromo-
2-​Cyano-​5-​bromopyridine; 3-​Bromo-​6-​cyanopyridine; 3-​Bromo-​6-​pyridinecarbonitrile; 5-​Bromo-​2-​cyanopyridine; 5-​Bromopicolinonitrile; 5-​Bromopyridine-​2-​carbonitrile 

 

Chemical Formula: C6H3BrN2
Exact Mass: 181.95
Molecular Weight: 183.01
m/z: 181.95 (100.0%), 183.95 (97.5%), 182.95 (6.5%), 184.95 (6.3%)

 

InChI: InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChIKey: DMSHUVBQFSNBBL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=NC=C1Br)C#N

 

Thermal Properties Value Condition Note
Boiling Point 100-110 °C Press: 3 Torr (1)IC
Melting Point 125-126 °C   (4)CAS

Specification

98%

References
  1. (1) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1985, V33(2), P565-71 CAPLUS
  2. (2) Bianchini, Claudio; Organometallics 2007, V26(20), P5066-5078 CAPLUS
  3. (3) Markevitch, David Y.; Synthetic Communications 2003, V33(19), P3285-3289 CAPLUS
  4. (4) Ismail, Mohamed A.; Journal of Medicinal Chemistry 2003, V46(22), P4761-4769 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Jo, Yeong Woo; Bioorganic & Medicinal Chemistry 2004, V12(22), P5909-5915 CAPLUS
  7. (7) Song, Jinhua J.; Organic Letters 2004, V6(26), P4905-4907 CAPLUS
  8. (8) Im, Weon Bin; European Journal of Medicinal Chemistry 2011, V46(4), P1027-1039 CAPLUS
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