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CAS Number: 398-21-0
4-bromo-4'-fluoro-1,1'-biphenyl

Structure

4-bromo-4'-fluoro-1,1'-biphenyl
Name: 4-bromo-4'-fluoro-1,1'-biphenyl
Synonyms:
General Information
Product Number: 398210

CAS Registry Number 398-21-0
Name:
1,​1'-​Biphenyl, 4-​bromo-​4'-​fluoro-
Biphenyl, 4-bromo-4'-fluoro- (7CI,8CI)
4-Bromo-4'-fluorobiphenyl
4-Fluoro-4'-bromobiphenyl
4'-Bromo-4-fluorobiphenyl
NSC 91565

 

Chemical Formula: C12H8BrF
Exact Mass: 249.98
Molecular Weight: 251.09
m/z: 249.98 (100.0%), 251.98 (97.3%), 250.98 (13.0%), 252.98 (12.7%)

 

InChI:InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

InChI Key:XFGPSHWWPIFPNL-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C2=CC=C(C=C2)Br)F

 

Thermal Properties Value Condition Note
Melting Point 99-100 °C   (3)CAS
Melting Point 98 °C   (4)CAS
Melting Point 86-91 °C   (5)CAS

Specification

98%

References
  1. (3) Esther, Elizabeth; Journal of the Chemical Society 1931, P1359-63 CAPLUS
  2. (4) Schiemann, Gunther; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1931, V64B, P1340-5 CAPLUS
  3. (5) Steiniger, Bjoern; Journal of Labelled Compounds and Radiopharmaceuticals 2006, V49(9), P817-827 CAPLUS
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