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CAS Number: 13544-43-9
6-(trifluoromethyl)-1H-indole

Structure

 6-(trifluoromethyl)-1H-indole
Name: 6-(trifluoromethyl)-1H-indole
Synonyms:
General Information
Product Number: 13544439

CAS Registry Number 13544-43-9
Name:
1H-?Indole, 6-?(trifluoromethyl)?-
Indole, 6-(trifluoromethyl)- (8CI)
6-(Trifluoromethyl)indole
6-Trifluoromethyl-1H-indole

 

Chemical Formula: C9H6F3N
Exact Mass: 185.05
Molecular Weight: 185.15
m/z: 185.05 (100.0%), 186.05 (9.8%)

 

InChI:InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H

InChI Key:BPYBYPREOVLFED-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC2=C1C=CN2)C(F)(F)F

 

Thermal Properties Value Condition Note
Boiling Point 109-110 °C   (1)CAS
Melting Point 109-110 °C   (1)CAS
Melting Point 107-109 °C   (3)IC
Melting Point 107-108 °C Solv: ligroine (8032-32-4) (4)IC

Specification

98%
References
  1. (1) Kalir, Asher; Israel Journal of Chemistry 1966, V4(4), P155-9 CAPLUS
  2. (3) Tischler, Allan N.; Tetrahedron Letters 1986, V27(15), P1653-6 CAPLUS
  3. (4) Raucher, Stanley; Journal of Organic Chemistry 1983, V48(12), P2066-9 CAPLUS
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