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Merck
CN

263419

3,5-Bis(trifluoromethyl)phenylacetic acid

95%

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About This Item

Linear Formula:
(CF3)2C6H3CH2CO2H
CAS Number:
85068-33-3
Molecular Weight:
272.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855970
EC Number:
285-295-6
Beilstein/REAXYS Number:
6813447
MDL number:
MFCD00009908
Assay:
95%
Form:
solid

Key Documents

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Product Name

3,5-Bis(trifluoromethyl)phenylacetic acid, 95%

InChI key

PAWSKKHEEYTXSA-UHFFFAOYSA-N

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)

SMILES string

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

assay

95%

form

solid

mp

121-123 °C (lit.)

solubility

methanol: soluble 25 mg/mL, clear, colorless

functional group

carboxylic acid
fluoro

Quality Level

100

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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

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
SDBB5910
STBK5508
STBB4621V
STBB4621
MKAA2903

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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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