3,3,3-Trifluoro-2,2-dimethylpropionic acid - CAS 889940-13-0
Catalog: |
BB039300 |
Product Name: |
3,3,3-Trifluoro-2,2-dimethylpropionic acid |
CAS: |
889940-13-0 |
Synonyms: |
3,3,3-trifluoro-2,2-dimethylpropanoic acid |
IUPAC Name: | 3,3,3-trifluoro-2,2-dimethylpropanoic acid |
Description: | 3,3,3-Trifluoro-2,2-dimethylpropionic acid (CAS# 889940-13-0) is an organic buliding blocks, that can be used in the synthesis of variety of pharmaceutical compounds, such as inhibitors. |
Molecular Weight: | 156.10 |
Molecular Formula: | C5H7F3O2 |
Canonical SMILES: | CC(C)(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10) |
InChI Key: | VMFSJVUPIXOCFO-UHFFFAOYSA-N |
Boiling Point: | 153.4 °C at 760 mmHg |
Melting Point: | 66-71 °C |
Purity: | 95 % |
Density: | 1.278 g/cm3 |
Appearance: | White powder |
MDL: | MFCD08445819 |
LogP: | 1.65950 |
GHS Hazard Statement: | H314 (15.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03981395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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