Skip to Content
Merck
All Photos(1)

Documents

232882

Sigma-Aldrich

3,5-Bis(trifluoromethyl)benzoic acid

98%

Synonym(s):

3,5-Di(trifluoromethyl)benzoic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

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

Assay

98%

form

solid

mp

142-143 °C (lit.)

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

Looking for similar products? Visit Product Comparison Guide

General description

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service