4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine - CAS 2836-44-4
Catalog: |
BB019832 |
Product Name: |
4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine |
CAS: |
2836-44-4 |
Synonyms: |
2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one; 2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one |
IUPAC Name: | 2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one |
Description: | 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine (CAS# 2836-44-4) is a useful research chemical. |
Molecular Weight: | 178.11 |
Molecular Formula: | C6H5F3N2O |
Canonical SMILES: | CC1=NC(=CC(=O)N1)C(F)(F)F |
InChI: | InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12) |
InChI Key: | DBDRDWKBAGNHHS-UHFFFAOYSA-N |
Boiling Point: | 142.828 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD03265321 |
LogP: | 1.50940 |
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 |
US-2021171529-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
WO-2021108404-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
CN-110003117-A | A kind of ferulic amide derivative and its preparation and use containing trifluoromethyl pyrimidine | 20190506 |
TW-202003734-A | Resin composition, laminate, semiconductor wafer with resin composition layer, mounting substrate for semiconductor with resin composition layer, and semiconductor device | 20180426 |
WO-2019208614-A1 | Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device | 20180426 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03539727 |
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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