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| CAS No.: | 34289-60-6 |
|---|---|
| Name: | 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C6H9ClN2O |
| Molecular Weight: | 160.603 |
| Synonyms: | 4,6-Dimethyl-2-hydroxypyrimidineHCl; |
| EINECS: | 251-919-0 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 260 °C (dec.)(lit.) |
| Boiling Point: | 314.6 °C at 760 mmHg |
| Flash Point: | 144 °C |
| Appearance: | WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS |
| PSA: | 46.01000 |
| LogP: | 1.60100 |
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Specification
The 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride, with the CAS registry number of 34289-60-6, is also known as 4,6-Dimethyl-2-hydroxypyrimidineHCl. Its EINECS registry number is 251-919-0. This chemical's molecular formula is C6H9ClN2O and molecular weight is 160.6. What's more, its IUPAC name is 4,6-Dimethyl-1H-pyrimidin-2-one hydrochloride. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about the 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride are: (1)# of Rule of 5 Violations: 0; (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: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 46.01 Å2; (10)Flash Point: 157.7 °C; (11)Enthalpy of Vaporization: 60.33 kJ/mol; (12)Boiling Point: 337.1 °C at 760 mmHg; (13)Vapour Pressure: 5.48E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Urea with Pentane-2,4-dione. The reaction needs reagent HCl and solvent Ethanol. The reaction time is 24 hours. The yield is about 75 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce Sulfuric acid mono-(2-hydroxy-4,6-dimethyl-pyrimidin-5-yl) ester at 20 °C. This reaction needs reagents NaOH and (NH4)2S2O8. The yield is about 43.5 %.
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You can still convert the following datas into molecular structure:
(1) SMILES:Cl.Cc1cc(C)nc(O)n1
(2) InChI:InChI=1/C6H8N2O.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
(3) InChIKey:IFXXETYYSLJRNF-UHFFFAOYAM