CAS No.1194-22-5,4,6-Dihydroxy-2-methylpyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1194-22-5
Name:	4,6-Dihydroxy-2-methylpyrimidine
Article Data:	9

Formula:	C₅H₆N₂O₂
Molecular Weight:	126.115
Synonyms:	4,6-Pyrimidinediol,2-methyl- (6CI,7CI);2-Methyl-4,6-dihydroxypyrimidine;2-Methylpyrimidine-4,6-diol;4,6-Dihydroxy-2-methylpyrimidine;6-Hydroxy-2-methylpyrimidin-4(3H)-one;NSC 9317;
Density:	1.44 g/cm³
Boiling Point:	314.4 °C at 760 mmHg
Flash Point:	143.9 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	65.98000
LogP:	-0.21610

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Specification

The 4(1H)-Pyrimidinone, 6-hydroxy-2-methyl-, with the CAS registry number of 1194-22-5, is also known as 4(1H)-Pyrimidinone, 6-hydroxy-2-methyl- (8CI, 9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₆N₂O₂ and molecular weight is 126.11334. What's more, its IUPAC name is 4-Hydroxy-2-methyl-1H-pyrimidin-6-one.

Physical properties about 4(1H)-Pyrimidinone, 6-hydroxy-2-methyl- are: (1)ACD/LogP: -1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.9 Å²; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 30.66 cm³; (13)Molar Volume: 87.3 cm³; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.44 g/cm³; (16)Flash Point: 143.9 °C; (17)Enthalpy of Vaporization: 57.76 kJ/mol; (18)Boiling Point: 314.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000254 mmHg at 25 °C.

Uses of 4(1H)-Pyrimidinone, 6-hydroxy-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 4, 6-Dichloro-2-methyl-pyrimidine by heating. The reaction needs reagent POCl₃. The reaction time is 5 hours. The yield is about 64 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(/O)\N=C(/N1)C
(2) InChI: InChI=1/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H,1H3,(H2,6,7,8,9)
(3) InChIKey: BPSGVKFIQZZFNH-UHFFFAOYAE