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CAS Number: 82671-02-1
2,6-dichloro-5-fluoronicotinonitrile

Structure

2,6-dichloro-5-fluoronicotinonitrile
Name: 2,6-dichloro-5-fluoronicotinonitrile
Synonyms:
General Information
Product Number: 82671021
CAS Registry Number: 82671-02-1
Name:
        3-​Pyridinecarbonitrile​, 2,​6-​dichloro-​5-​fluoro-
        2,​6-​Dichloro-​3-​cyano-​5-​fluoropyridine; 2,​6-​Dichloro-​5-​cyano-​3-​fluoropyridine; 2,​6-​Dichloro-​5-​fluoro-​3-​cyanopyridine; 2,​6-​Dichloro-​5-​fluoro-​3-​nicotinonitrile; 2,​6-​Dichloro-​5-​fluoro-​3-​pyridinecarbonitrile; 2,​6-​Dichloro-​5-​fluoronicotinonitril​e; 3-​Cyano-​2,​6-​dichloro-​5-​fluoropyridine 
 
Chemical Formula: C6HCl2FN2
Exact Mass: 189.95
Molecular Weight: 190.99
m/z: 189.95 (100.0%), 191.95 (64.0%), 193.94 (10.2%), 190.95 (7.2%), 192.95 (4.2%)
Elemental Analysis: C, 37.73; H, 0.53; Cl, 37.13; F, 9.95; N, 14.67
 
InChI: InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H
InChIKey: DEDKKOOGYIMMBC-UHFFFAOYSA-N
Canonical SMILES : C1=C(C(=NC(=C1F)Cl)Cl)C#N
 
Thermal Properties Value Condition Note
Melting Point 91-93 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (2)IC

Specification

98%

References
  1. (1) Choi, Bo Seung; Organic Process Research & Development 2005, V9(3), P311-313 CAPLUS
  2. (2) Miyamoto, Teruyuki; Chemical & Pharmaceutical Bulletin 1987, V35(6), P2280-5 CAPLUS
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