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318035

(S)-(−)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid

≥99%

Synonym(s):

(−)-MTPA, Mosher’s acid

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About This Item

Linear Formula:
C6H5C(OCH3)(CF3)CO2H
CAS Number:
17257-71-5
Molecular Weight:
234.17
UNSPSC Code:
12352112
NACRES:
NA.22
PubChem Substance ID:
24859111
EC Number:
241-292-1
Beilstein/REAXYS Number:
4684048
MDL number:
MFCD00064200
eCl@ss:
32150313
Assay:
≥99%
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Quality Segment

assay

≥99%

optical activity

[α]18/D −72°, c = 1.6 in methanol

optical purity

ee: 99% (GLC)

reaction suitability

reagent type: chrial catalyst

refractive index

n20/D 1.474 (lit.)

bp

95-97 °C/0.05 mmHg (lit.)

mp

46-49 °C (lit.)

density

1.303 g/mL at 25 °C (lit.)

functional group

carboxylic acid, ether, fluoro, phenyl

storage temp.

2-8°C

SMILES string

CO[C@](C(O)=O)(c1ccccc1)C(F)(F)F

InChI

1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1

InChI key

JJYKJUXBWFATTE-VIFPVBQESA-N

General description

(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

doi:10.1038/nprot.2007.354

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

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)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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