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CAS Number: 57774-35-3
4'-bromo-[1,1'-biphenyl]-4-carbonitrile

Structure

4'-bromo-[1,1'-biphenyl]-4-carbonitrile
Name: 4'-bromo-[1,1'-biphenyl]-4-carbonitrile
Synonyms:
General Information
Product Number: 57774353

CAS Registry Number 57774-35-3
Name:
[1,​1'-​Biphenyl]​-​4-​carbonitrile, 4'-​bromo-
4-Biphenylcarbonitrile, 4'-bromo- (6CI)
4-Bromo-4'-cyanobiphenyl
4'-Bromo-4-cyanobiphenyl

 

Chemical Formula: C13H8BrN
Exact Mass: 256.98
Molecular Weight: 258.11
m/z: 256.98 (100.0%), 258.98 (97.3%), 257.99 (14.2%), 259.99 (13.8%)

 

InChI:InChI=1S/C13H8BrN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H

InChI Key:BHVHKOVPWZKVCC-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C#N)C2=CC=C(C=C2)Br

 

Thermal Properties Value Condition Note
Boiling Point 120 °C Press: 1 Torr (1)IC
Melting Point 155-155.5 °C   (2)CAS
Melting Point 153.5-155.0 °C Solv: ethanol (64-17-5) (1)IC
Melting Point 150 °C   (3)IC
Melting Point 144 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%

References
  1. (1) McNamara, J. M.; Journal of Organic Chemistry 1976, V41(6), P1071 CAPLUS
  2. (2) Farahat, Abdelbasset A.; Bioorganic & Medicinal Chemistry 2010, V18(2), P557-566 CAPLUS
  3. (3) Boller, Arthur; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie 1978, V33B(4), P433-8 CAPLUS
  4. (4) Niwa, Hiroshi; Tohoku Yakka Daigaku Kiyo 1957, V4, P1-18 CAPLUS
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