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4,6-Dihydroxy-2-methylpyrimidine

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Name

4,6-Dihydroxy-2-methylpyrimidine

EINECS 254-941-9
CAS No. 40497-30-1 Density 1.44 g/cm3
PSA 66.24000 LogP 0.19620
Solubility N/A Melting Point >300 °C(lit.)
Formula C5H6N2O2 Boiling Point 314.4 °C at 760 mmHg
Molecular Weight 126.115 Flash Point 143.9 °C
Transport Information UN 1759 Appearance white to light beige amorphous powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40497-30-1 (4,6-Dihydroxy-2-methylpyrimidine) Hazard Symbols IrritantXi
Synonyms

2-Methyl-4,6-pyrimidinedione;2-Methylpyrimidin-4,6(3H,5H)-dione;

 

4,6-Dihydroxy-2-methylpyrimidine Specification

The 2-Methyl-4,6-dihydroxy pyrimidine, with the CAS registry number 40497-30-1, is also known as 4,6(1H,5H)-Pyrimidinedione, 2-methyl-. It belongs to the product categories of Pyrimidine; APIs & Intermediate; Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidines. Its EINECS registry number is 254-941-9. This chemical's molecular formula is C5H6N2O2 and molecular weight is 126.11. Its systematic name is called 6-hydroxy-2-methylpyrimidin-4(3H)-one. What's more, this chemical can be used in the synthesis of pharmaceutical intermediates. The product should be sealed and stored in cool and dry place.

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

Uses of 2-Methyl-4,6-dihydroxy pyrimidine: it can be used to produce 4,6-dichloro-2-methyl-pyrimidine by heating. This reaction will need reagent POCl3 with reaction time of 5 hours. The yield is about 64%.

 2-Methyl-4,6-dihydroxy pyrimidine can be used to produce 4,6-dichloro-2-methyl-pyrimidine by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

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

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