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CAS Number: 42580-42-7
2,5-bis(trifluoromethyl)benzoic acid

Structure

 2,5-bis(trifluoromethyl)benzoic acid
Name: 2,5-bis(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 42580427

CAS Registry Number 42580-42-7
Name:
Benzoic acid, 2,?5-?bis(trifluoromethyl)?-
2,5-Bis(trifluoromethyl)benzoic acid

 

Chemical Formula: C9H4F6O2
Exact Mass: 258.01
Molecular Weight: 258.12
m/z: 258.01 (100.0%), 259.01 (9.7%)

 

InChI

 

InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)

InChI Key:PINBPLCVZSKLTF-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2013), WO 2013024898 A1 20130221.

PCT Int. Appl. (2011), WO 2011106632 A1 20110901. 
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