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CAS Number: 40017-76-3
3-(2,6-difluorophenyl)-3-oxopropanenitrile

Structure

3-(2,6-difluorophenyl)-3-oxopropanenitrile
Name: 3-(2,6-difluorophenyl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 40017763
CAS Registry Number:
40017-76-3
Name:
Benzenepropanenitril​e, 2,​6-​difluoro-​β-​oxo-
2,​6-​Difluorophenacyl cyanide 
 
Chemical Formula: C9H5F2NO
Exact Mass: 181.03
Molecular Weight: 181.14
m/z: 181.03 (100.0%), 182.04 (9.8%)
Elemental Analysis: C, 59.68; H, 2.78; F, 20.98; N, 7.73; O, 8.83
 
InChI: InChI=1S/C9H5F2NO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2
InChIKey: UFGUAZITUTVDOC-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C(=C1)F)C(=O)CC#N)F
 
Thermal Properties Value Condition Note
Melting Point 54-55 °C Solv: dichloromethane (75-09-2) (1)IC

Specification

98%

References
  1. (1) Binder, Dieter; Archiv der Pharmazie (Weinheim, Germany) 1980, V313(7), P587-602 CAPLUS
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