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CAS Number: 289686-70-0
2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoic acid

Structure

2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
Name: 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
Synonyms:
General Information
Product Number: 289686700

CAS Registry Number 289686-70-0
Name:
Benzeneacetic acid, α,​α-​dimethyl-​3,​5-​bis(trifluoromethyl)​-
2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid

 

Chemical Formula: C12H10F6O2
Exact Mass: 300.06
Molecular Weight: 300.20
m/z: 300.06 (100.0%), 301.06 (13.2%)

 

InChI:InChI=1S/C12H10F6O2/c1-10(2,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,1-2H3,(H,19,20)

InChI Key:ORLKRFYFNMCQIG-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 105.5-107 °C   (1)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Hoffmann-Emery, Fabienne; Journal of Organic Chemistry 2006, V71(5), P2000-2008 CAPLUS
  2. (2) Hoffmann-Emery, Fabienne; WO 2002079134 A1 2002 CAPLUS
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