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CAS No.: | 125995-00-8 |
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Name: | (S)-(-)-3,3,3-TRIFLUORO-2-HYDROXYPROPANOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C3H3F3O3 |
Molecular Weight: | 144.05 |
Synonyms: | (S)-Trifluorolactic Acid; |
Density: | 1.445 g/cm3 |
Melting Point: | 72-76 °C(lit.) |
Boiling Point: | 256.4 °C at 760 mmHg |
Flash Point: | 108.9 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-27-36-45 |
Transport Information: | UN 1759 |
PSA: | 57.53000 |
LogP: | -0.00580 |
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The Propanoic acid,3,3,3-trifluoro-2-hydroxy-, (2S)-, with the CAS registry number of 125995-00-8, is also known as (S)-Trifluorolactic Acid. It belongs to the product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its molecular formula is C3H3F3O3 and molecular weight is 144.05. What's more, its systematic name is (2S)-3,3,3-Trifluoro-2-hydroxypropanoic acid.
Physical properties about the Propanoic acid,3,3,3-trifluoro-2-hydroxy-, (2S)- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.365; (12)Molar Refractivity: 19.46 cm3; (13)Molar Volume: 86.9 cm3; (14)Surface Tension: 34.6 dyne/cm; (15)Density: 1.656 g/cm3; (16)Flash Point: 108.9 °C; (17)Enthalpy of Vaporization: 57.38 kJ/mol; (18)Boiling Point: 256.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00231 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)[C@@H](O)C(=O)O
(2) InChI: InChI=1/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m0/s1
(3) InChIKey: BVKGUTLIPHZYCX-SFOWXEAEBO