6-(Trifluoromethyl)pyridine-2,4-diol - CAS 947144-32-3
Catalog: |
BB041466 |
Product Name: |
6-(Trifluoromethyl)pyridine-2,4-diol |
CAS: |
947144-32-3 |
Synonyms: |
4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one; 4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one |
IUPAC Name: | 4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one |
Description: | 6-(Trifluoromethyl)pyridine-2,4-diol (CAS# 947144-32-3 ) is a useful research chemical. |
Molecular Weight: | 179.10 |
Molecular Formula: | C6H4F3NO2 |
Canonical SMILES: | C1=C(C=C(NC1=O)C(F)(F)F)O |
InChI: | InChI=1S/C6H4F3NO2/c7-6(8,9)4-1-3(11)2-5(12)10-4/h1-2H,(H2,10,11,12) |
InChI Key: | HMNGHOZGHIWTLQ-UHFFFAOYSA-N |
Boiling Point: | 558.924 °C at 760 mmHg |
Density: | 1.585 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.09930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201329067-A | Urea compound as a GKA activator | 20111208 |
EP-2101741-A2 | Solid dispersion comprising a poorly water soluble drug | 20061017 |
EP-2101741-B1 | Solid dispersion comprising a poorly water soluble drug | 20061017 |
JP-2008100997-A | Spray-dried formulation | 20061017 |
TW-200819148-A | Spray dried formulation | 20061017 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.01941286 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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