3,5-Difluoromandelic acid

Name: 3,5-Difluoromandelic acid
Brand: ALDRICH

97%

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About This Item

Linear Formula:

F₂C₆H₃CH(OH)CO₂H

CAS Number:

132741-31-2

Molecular Weight:

188.13

MDL number:

MFCD00061300

UNSPSC Code:

12352100

PubChem Substance ID:

24878563

NACRES:

NA.22

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Key Documents

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assay

97%

mp

135-139 °C (lit.)

functional group

carboxylic acid
fluoro
hydroxyl

SMILES string

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

InChI

1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)

InChI key

PHMLPPFFMSRWBK-UHFFFAOYSA-N

General description

3,5-Difluoromandelic acid is also known as α-hydroxy-3,5-difluorophenylacetic acid. Racemic 3,5-difluoromandelic acid undergoes optical resolution in the presence of (1R,2R)-(-)-pseudoephedrine in isopropanol to afford (S)-form.[1]

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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A series of C-terminal amino alcohol dipeptide Aβ inhibitors.

Garofalo AW, et al.

Bioorganic & Medicinal Chemistry Letters, 12(21), 3051-3053 (2002)

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