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CAS Number: 240800-45-7
5-fluoro-2-(trifluoromethyl)benzonitrile

Structure

5-fluoro-2-(trifluoromethyl)benzonitrile
Name: 5-fluoro-2-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 240800457
CAS Number:
240800-45-7
Name:
Benzonitrile,5-fluoro-2-(trifluoromethyl)-
5-Fluoro-2-trifluoromethylbenzonitrile 
Chemical Formula: C8H3F4N
Exact Mass: 189.02
Molecular Weight: 189.11
m/z: 189.02 (100.0%), 190.02 (9.0%)
Elemental Analysis: C, 50.81; H, 1.60; F, 40.18; N, 7.41
InChI: InChI=1S/C8H3F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H
InChIKey: SQAZPEKSXOYPDX-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1F)C#N)C(F)(F)F
 MDL Number MFCD00236281.

Specification

98%

References

PCT Int. Appl. (2013), WO 2013072758 A1 20130523.

PCT Int. Appl. (2013), WO 2013064883 A1 20130510

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