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| CAS No.: | 20445-31-2 |
|---|---|
| Name: | (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
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| Formula: | C10H9F3O3 |
| Molecular Weight: | 234.175 |
| Synonyms: | Benzeneaceticacid, a-methoxy-a-(trifluoromethyl)-, (R)-;(+)-MTPA;(+)-Mosher'sacid;(+)-a-Methoxy-a-(trifluoromethyl)phenylaceticacid;(R)-(+)-3,3,3-Trifluoro-2-phenyl-2-methoxypropanoic acid;(R)-(+)-MTPA acid;(R)-(+)-Mosher's acid;(R)-2-Methoxy-2-(trifluoromethylphenylacetic acid;(R)-2-Methoxy-2-phenyl-2-(trifluoromethyl)ethanoic acid;(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid;(R)-MTPA;(R)-Mosher's acid;(R)-a-Methoxy-a-(trifluoromethyl)benzeneaceticacid;(aR)-a-Methoxy-a-(trifluoromethyl)benzeneacetic acid; |
| EINECS: | 243-829-5 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 46-49 °C(lit.) |
| Boiling Point: | 287.226 °C at 760 mmHg |
| Flash Point: | 134.154 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 2.17520 |
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Chemistry
Product Name: (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid (CAS NO.20445-31-2)
Molecular Formula: C10H9F3O3
Molecular Weight: 234.17g/mol
Mol File: 20445-31-2.mol
EINECS: 243-829-5
Appearance: white crystalline low melting solid
Melting Point: 46-49 °C(lit.)
Storage Temperature: 2-8°C
Sensitive: Hygroscopic
Index of Refraction: 1.469
Molar Refractivity: 48.4 cm3
Molar Volume: 173.5 cm3
Surface Tension: 34.4 dyne/cm
Density: 1.349 g/cm3
Flash Point: 134.2 °C
Enthalpy of Vaporization: 55.59 kJ/mol
Boiling Point: 287.2 °C at 760 mmHg
Vapour Pressure: 0.00117 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid (CAS NO.20445-31-2):
IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
Canonical SMILES: COC(C1=CC=CC=C1)(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)
InChIKey: JJYKJUXBWFATTE-UHFFFAOYSA-N
Product Categories: Analytical Chemistry; e.e. / Absolute Configuration Determination (NMR); Enantiomer Excess & Absolute Configuration Determination
Safety Profile
Safety Information of (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid (CAS NO.20445-31-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 3-10
Hazard Note: Irritant/Keep Cold
HazardClass: IRRITANT, HYGROSCOPIC, KEEP COLD
Specification
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid , its CAS NO. is 20445-31-2, the synonyms are Mosher's Acid ; (+)-MTPA .