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CAS Number: 267880-81-9
3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanenitrile

Structure

3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanenitrile
Name: 3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 267880819

CAS Registry Number 267880-81-9
Name:
Benzenepropanenitril​e, β-​oxo-​3,​5-​bis(trifluoromethyl)​-

 

Chemical Formula: C11H5F6NO
Exact Mass: 281.03
Molecular Weight: 281.15
m/z: 281.03 (100.0%), 282.03 (12.0%)

 

InChI:InChI=1S/C11H5F6NO/c12-10(13,14)7-3-6(9(19)1-2-18)4-8(5-7)11(15,16)17/h3-5H,1H2

InChI Key:GFZFAQOKWZGMQL-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)CC#N

 

Thermal Properties Value Condition Note
Melting Point 67-70 °C   (1)CAS

Specification

98%

References
  1. (1) Patil, Shivaraj P.; Indian Journal of Heterocyclic Chemistry 2011, V21(1), P33-36 CAPLUS
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