4-(Trifluoromethyl)phenethyl alcohol - CAS 2968-93-6
Catalog: |
BB020284 |
Product Name: |
4-(Trifluoromethyl)phenethyl alcohol |
CAS: |
2968-93-6 |
Synonyms: |
2-[4-(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | 2-[4-(trifluoromethyl)phenyl]ethanol |
Description: | 4-(Trifluoromethyl)phenethyl alcohol (CAS# 2968-93-6) is an intermediate used to prepare substituted phenylpropanoic acid derivatives as selective human PPARα activators.It is also used to synthesize PI3Kγ-kinase inhibitors. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H9F3O |
Canonical SMILES: | C1=CC(=CC=C1CCO)C(F)(F)F |
InChI: | InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2 |
InChI Key: | SXMYWTQEZRZKBK-UHFFFAOYSA-N |
Boiling Point: | 218.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.253 g/mL at 25°C(lit.) |
MDL: | MFCD06411331 |
LogP: | 2.24020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 20191231 |
WO-2021136339-A1 | Amide compound with bicyclic structure and use thereof in drug | 20191231 |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
US-2020317627-A1 | Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical c-h amination | 20190405 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.06054939 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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