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CAS Number: 79544-27-7
2-bromo-6-fluorobenzonitrile

Structure

2-bromo-6-fluorobenzonitrile
Name: 2-bromo-6-fluorobenzonitrile
Synonyms:
General Information
Product Number: 79544277
CAS Number:
79544-27-7
Name:
Benzonitrile,2-bromo-6-fluoro-
 
Chemical Formula: C7H3BrFN
Exact Mass: 198.94
Molecular Weight: 200.01
m/z: 198.94 (100.0%), 200.94 (97.3%), 201.94 (7.7%), 199.95 (7.6%)
Elemental Analysis: C, 42.04; H, 1.51; Br, 39.95; F, 9.50; N, 7.00
 
InChI: InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey: IELGUZKHALDFOO-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C(=C1)Br)C#N)F
 
Thermal Properties Value Condition Note
Melting Point 57-58.5 °C   (1)IC

Specification

98%

References
  1. (1) Hynes, John B.; Journal of Heterocyclic Chemistry 1988, V25(4), P1173-7 CAPLUS
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