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CAS Number: 101048-76-4
2-fluoro-4-formylbenzonitrile

Structure

2-fluoro-4-formylbenzonitrile
Name: 2-fluoro-4-formylbenzonitrile
Synonyms:
General Information
Product Number: 101048764
CAS Registry Number: 101048-76-4
Name:
        Benzonitrile, 2-​fluoro-​4-​formyl-
        2-​Fluoro-​4-​formylbenzonitrile; 3-​Fluoro-​4-​cyanobenzaldehyde; 4-​Cyano-​3-​fluorobenzaldehyde 
 
Chemical Formula: C8H4FNO
Exact Mass: 149.03
Molecular Weight: 149.12
m/z: 149.03 (100.0%), 150.03 (8.7%)
Elemental Analysis: C, 64.43; H, 2.70; F, 12.74; N, 9.39; O, 10.73
 
InChI: InChI=1S/C8H4FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChIKey: MYUPCEIJNBAAFL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C=O)F)C#N
 
Thermal Properties Value Condition Note
Melting Point 87-88 °C   (1)CAS

Specification

98%

References
  1. (1) Olsen, Jacob; Organic & Biomolecular Chemistry 2004, V2(9), P1339-1352 CAPLUS
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