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CAS Number: 13600-43-6
4-(trifluoromethyl)nicotinonitrile

Structure

4-(trifluoromethyl)nicotinonitrile
Name: 4-(trifluoromethyl)nicotinonitrile
Synonyms:
General Information
Product Number: 13600436
CAS Registry Number: 13600-43-6
Name:
3-​Pyridinecarbonitrile​, 4-​(trifluoromethyl)​-
Nicotinonitrile, 4-​(trifluoromethyl)​- (8CI); 3-​Cyano-​4-​(trifluoromethyl)​pyridine; 4-​(Trifluoromethyl)​-​3-​pyridinecarbonitrile; 4-​(Trifluoromethyl)​nicotinonitrile 
 
Chemical Formula: C7H3F3N2
Exact Mass: 172.02
Molecular Weight: 172.11
m/z: 172.02 (100.0%), 173.03 (7.6%)
Elemental Analysis: C, 48.85; H, 1.76; F, 33.12; N, 16.28
 
InChI: InChI=1S/C7H3F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-2,4H
InChIKey: DHIRCRHQLUNYDS-UHFFFAOYSA-N
Canonical SMILES : C1=CN=CC(=C1C(F)(F)F)C#N
 
Thermal Properties Value Condition Note
Boiling Point 70 °C   (1)CAS

Specification

98%

References
  1. (1) Holland, Gerald F.; Journal of Medicinal Chemistry 1967, V10(2), P149-54 CAPLUS
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