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CAS Number: 247113-90-2
2-(3-fluoro-4-(trifluoromethyl)phenyl)acetonitrile

Structure

2-(3-fluoro-4-(trifluoromethyl)phenyl)acetonitrile
Name: 2-(3-fluoro-4-(trifluoromethyl)phenyl)acetonitrile
Synonyms:
General Information
Product Number: 247113902
CAS Registry Number: 247113-90-2
Name:
        Benzeneacetonitrile, 3-​fluoro-​4-​(trifluoromethyl)​-
        (3-​Fluoro-​4-​trifluoromethylpheny​l)​acetonitrile 
 
Chemical Formula: C9H5F4N
Exact Mass: 203.04
Molecular Weight: 203.14
m/z: 203.04 (100.0%), 204.04 (9.8%)
Elemental Analysis: C, 53.21; H, 2.48; F, 37.41; N, 6.90
 
InChI: InChI=1S/C9H5F4N/c10-8-5-6(3-4-14)1-2-7(8)9(11,12)13/h1-2,5H,3H2
InChIKey: SQAMKWHPORKALE-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1CC#N)F)C(F)(F)F

Specification

98%

References

PCT Int. Appl. (2012), WO 2012019315 A1 20120216.

PCT Int. Appl. (2011), WO 2011132633 A1 20111027.

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