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263419

Sigma-Aldrich

3,5-Bis(trifluoromethyl)phenylacetic acid

98%

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About This Item

Linear Formula:
(CF3)2C6H3CH2CO2H
CAS Number:
85068-33-3
Molecular Weight:
272.14
Beilstein/REAXYS Number:
6813447
EC Number:
285-295-6
MDL number:
MFCD00009908
UNSPSC Code:
12352100
PubChem Substance ID:
24855970
NACRES:
NA.22

Quality Level

100

assay

98%

form

solid

mp

121-123 °C (lit.)

solubility

methanol: soluble 25 mg/mL, clear, colorless

functional group

carboxylic acid
fluoro

SMILES string

OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)

InChI key

PAWSKKHEEYTXSA-UHFFFAOYSA-N

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Application

3,5-Bis(trifluoromethyl)phenylacetic acid has been used:
  • as building block to synthesize the pentaamine and bis-heterocyclic libraries
  • in determination of ionic perfluorinated substances and telomers in leachates from landfills and sediment samples

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
STBK5508
STBB4621V
STBB4621
MKAA2903
08804HH

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Adel Nefzi et al.
Bioorganic & medicinal chemistry letters, 19(17), 5169-5175 (2009-07-28)
Combinatorial chemistry offers a unique opportunity for the synthesis and screening of large numbers of compounds and significantly enhances the prospect of finding new drugs. Collaborative efforts with the Tuberculosis Antimicrobial Acquisition & Coordinating Facility (TAACF), have led to the
Trine Eggen et al.
The Science of the total environment, 408(21), 5147-5157 (2010-08-11)
Landfills have historically remained the most common methods of organized waste disposal and still remain so in many regions of the world. Thus, they may contain wastes resulting from several decades of disposal and decomposition with subsequent release of organic

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