(S)-(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID

CAS No.
17257-71-5
CCD No.
CCD00042537
Formula
C10 H9 F3 O3
MolWeight
234.172

Basic Information

Product Name: (S)-(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID
CAS: 17257-71-5
English Synonyms: (2S)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOIC ACID ; MOSHER'S ACID ; (S)-(-)-MPTA ; (S)-(-)-2-METHOXY-2-(TRIFLUOROMETHYL)PHENYLACETIC ACID ; (-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID ; (S)-(-)-MTPA ; (S)-(-)-A-METHOXY-A-TRIFLUOROMETHYLPHENYLACETIC ACID ; (S)-(-)-1-METHOXY-1-(TRIFLUOROMETHYL)PHENYLACETIC ACID ; (S)-(-)-MOSHER'S ACID ; (-)-MTPA ; (2S)-(-)-2-METHOXY-2-PHENYL-3,3,3-TRIFLUOROPROPANOIC ACID ; (S)-(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID ; (-)-MOSHER'S ACID ; 3,3,3-TRIFLUORO-2-METHOXY-2-PHENYLPROPANOIC ACID ; (S)-(-)-Α-METHOXY-Α-(TRIFLUOROMETHYL)PHENYLACETIC ACID ; (S)-3,3,3-TRIFLUORO-2-METHOXY-2-PHENYL-PROPIONIC ACID ; (S)-MOSHERS ACID
MDL Number.: MFCD00064200
H bond acceptor: 3
H bond donor: 1
Smile: CO[C@@](c1ccccc1)(C(=O)O)C(F)(F)F
InChi: 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
InChiKey: InChIKey=JJYKJUXBWFATTE-VIFPVBQESA-N

Property

Melting Point: 46-49 DEG C(LIT)/46-49 °C
Boiling Point: 95-97 DEG C/0.05 MMHG(LIT)/95-97 °C
Density: DENSITY: 1.303 G/ML AT 25 DEG C(LIT)
Physical Property: FLASHPOINT: 113 DEG C
FLASHPOINT: 235.4 DEG F
REFRACTIVE INDEX: N20/D 1.474(LIT)
Comments: APPLICATION: DERIVATIZING REAGENT FOR DETERMINATION OF ENANTIOMERIC EXCESS BY NMR
OPTICAL ACTIVITY: [ALPHA]20/D -70 DEG, C = 1.6 IN METHANOL
UNSPSC: 12352100
WGK: 3
Information: OPTICAL PURITY: EE: 95% (GLC)

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315,H319,H335
Precautionary statements: P261,P305+P351+P338
hazard symbol: Xi
Risk Code: R:R36/37/38;
Safe Code: S:S26;S37/39/;
WGK Germany: 3
Flash point: 113 °C

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