232882
3,5-Bis(trifluoromethyl)benzoic acid
98%
Synonym(s):
3,5-Di(trifluoromethyl)benzoic acid
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About This Item
Linear Formula:
(CF3)2C6H3CO2H
CAS Number:
Molecular Weight:
258.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-970-1
Beilstein/REAXYS Number:
2058600
MDL number:
Assay:
98%
Form:
solid
InChI key
HVFQJWGYVXKLTE-UHFFFAOYSA-N
InChI
1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
SMILES string
OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
assay
98%
form
solid
mp
142-143 °C (lit.)
functional group
carboxylic acid, fluoro
Quality Level
Related Categories
General description
3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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3-Benzyloxy-2-phenylpiperidine NK1 antagonists: the influence of alpha methyl substitution.
Swain CJ, et al.
Bioorganic & Medicinal Chemistry Letters, 7(23), 2959-2962 (1997)
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