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2-Methylsulfanyl-6-(Trifluoromethyl)-1H-Pyrimidin-4-One
[CAS# 16097-62-4]

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Identification
Classification Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Thiopyrimidine
Name 2-Methylsulfanyl-6-(Trifluoromethyl)-1H-Pyrimidin-4-One
Synonyms 2-(Methylthio)-6-(Trifluoromethyl)-1H-Pyrimidin-4-One; 6G-381S; 4-Hydroxy-2-(Methylthio)-6-(Trifluoromethyl)Pyrimidine
Molecular Formula C6H5F3N2OS
Molecular Weight 210.17
CAS Registry Number 16097-62-4
SMILES CSC1=NC(=O)C=C(N1)C(F)(F)F
InChI 1S/C6H5F3N2OS/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChIKey BRLPDRZKOMZVOY-UHFFFAOYSA-N
Properties
Density 1.6±0.1g/cm3 (Cal.)
Melting point 176-180°C (Expl.)
Boiling point 304.7±37.0°C at 760 mmHg (Cal.)
Flash point 138.1±26.5°C (Cal.)
Safety Data
Safety Code S26;S37;S60  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
SDS Available
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