4-Hydroxy-6-(trifluoromethyl)pyrimidine - CAS 1546-78-7
Catalog: |
BB011043 |
Product Name: |
4-Hydroxy-6-(trifluoromethyl)pyrimidine |
CAS: |
1546-78-7 |
Synonyms: |
4-(trifluoromethyl)-1H-pyrimidin-6-one |
IUPAC Name: | 4-(trifluoromethyl)-1H-pyrimidin-6-one |
Description: | 4-Hydroxy-6-(trifluoromethyl)pyrimidine (CAS# 1546-78-7) is a useful research chemical. |
Molecular Weight: | 164.09 |
Molecular Formula: | C5H3F3N2O |
Canonical SMILES: | C1=C(N=CNC1=O)C(F)(F)F |
InChI: | InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11) |
InChI Key: | LVOYSBZJJWPUBD-UHFFFAOYSA-N |
Boiling Point: | 130.3 °C at 760 mmHg |
Melting Point: | 169-173 °C |
Purity: | 95 % |
Density: | 1.55 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00192530 |
LogP: | 1.20100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021094905-A1 | 1 -(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)piperidin-1 -yl)-ethan-1 -one derivatives and related compounds as fungicides for crop protection | 20191111 |
WO-2020236692-A1 | Pyridinone derivatives as selective cytotoxic agents against hiv infected cells | 20190522 |
CN-110003117-A | A kind of ferulic amide derivative and its preparation and use containing trifluoromethyl pyrimidine | 20190506 |
CN-109400988-A | A kind of gasket seal and preparation method thereof | 20181108 |
TW-202003734-A | Resin composition, laminate, semiconductor wafer with resin composition layer, mounting substrate for semiconductor with resin composition layer, and semiconductor device | 20180426 |
PMID | Publication Date | Title | Journal |
15357970 | 20040906 | Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.01974721 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.01974721 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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