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232882

3,5-Bis(trifluoromethyl)benzoic acid

Name: 3,5-Bis(trifluoromethyl)benzoic acid
Brand: ALDRICH

98%

Synonym(s):

3,5-Di(trifluoromethyl)benzoic acid

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About This Item

Linear Formula:

(CF₃)₂C₆H₃CO₂H

CAS Number:

725-89-3

Molecular Weight:

258.12

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853936

EC Number:

211-970-1

Beilstein/REAXYS Number:

2058600

MDL number:

MFCD00000388

Assay:

98%

Form:

solid

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Properties

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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)

Global Trade Item Number

SKU	GTIN
232882-5G	04061838783790
232882-25G	04061832491585