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CAS Number: 1693-28-3
2-(trifluoromethyl)-9H-thioxanthen-9-one

Structure

 2-(trifluoromethyl)-9H-thioxanthen-9-one
Name: 2-(trifluoromethyl)-9H-thioxanthen-9-one
Synonyms:
General Information
Product Number: 1693283

CAS Registry Number 1693-28-3
Name:
9H-?Thioxanthen-?9-?one, 2-?(trifluoromethyl)?-
Thioxanthen-9-one, 2-(trifluoromethyl)- (7CI,8CI)
2-(Trifluoromethyl)-9H-thioxanthen-9-one
2-(Trifluoromethyl)thioxanthen-9-one
2-Trifluoromethyl-9-thioxanthone
2-Trifluoromethylthioxanthone

 

Chemical Formula: C14H7F3OS
Exact Mass: 280.02
Molecular Weight: 280.26
m/z: 280.02 (100.0%), 281.02 (16.1%), 282.01 (4.5%), 282.02 (1.4%)

 

InChI:InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H

InChI Key:NEWRXGDGZGIHIS-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 147-148 °C Solv: cyclohexane (110-82-7) (3)IC
Melting Point 143-144 °C Solv: ethanol (64-17-5) (2)IC

Specification

98%
References
  1. (2) Tammilehto, Seija; Acta Pharmaceutica Suecica 1986, V23(5), P289-94 CAPLUS
  2. (3) Sindelar, Karel; Collection of Czechoslovak Chemical Communications 1982, V47(11), P3077-93 CAPLUS
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