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Sigma-Aldrich

3,5-Bis(trifluoromethyl)benzoic acid

98%

Synonym(s):

3,5-Di(trifluoromethyl)benzoic acid

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5 G
$37.50
25 G
$146.00

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5 G
$37.50
25 G
$146.00

About This Item

Linear Formula:
(CF3)2C6H3CO2H
CAS Number:
725-89-3
Molecular Weight:
258.12
Beilstein/REAXYS Number:
2058600
EC Number:
211-970-1
MDL number:
MFCD00000388
UNSPSC Code:
12352100
PubChem Substance ID:
24853936
NACRES:
NA.22

$37.50

Available to ship onApril 22, 2025Details

Request a Bulk Order

Quality Level

100

assay

98%

form

solid

mp

142-143 °C (lit.)

functional group

carboxylic acid
fluoro

SMILES string

OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

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)

InChI key

HVFQJWGYVXKLTE-UHFFFAOYSA-N

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General description

3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation[1].

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM3228
BCCL3341
BCCK6802
BCCJ2931
BCCD8843

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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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