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

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Computed Properties

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

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

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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

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