(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid - CAS 24435-45-8
Catalog: |
BB054631 |
Product Name: |
(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid |
CAS: |
24435-45-8 |
Synonyms: |
(S)-2-Hydroxy-2-(trifluoromethyl)propionic Acid; Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)- |
IUPAC Name: | (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid |
Molecular Weight: | 158.08 |
Molecular Formula: | C4H5F3O3 |
Canonical SMILES: | CC(C(=O)O)(C(F)(F)F)O |
InChI: | InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m0/s1 |
InChI Key: | CTGJACFEVDCYMC-VKHMYHEASA-N |
Boiling Point: | 60-64°C at 20mmHg |
Melting Point: | 110°C |
Purity: | >98.0%(T) |
Density: | 1.532±0.06 g/cm3 |
Storage: | Refrigerator |
GHS Hazard Statement: | H290 (33.33%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (33.33%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 |
Signal Word: | Danger |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0190785 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0190785 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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