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| CAS No.: | 89966-72-3 |
|---|---|
| Name: | 4-CHLORO-6-ETHYL-2-METHYLPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C7H9ClN2 |
| Molecular Weight: | 156.615 |
| Synonyms: | 4-Chloro-6-ethyl-2-methyl-pyrimidine; |
| Density: | 1.143 g/cm3 |
| Boiling Point: | 209.1 °C at 760 mmHg |
| Flash Point: | 99.8 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 25.78000 |
| LogP: | 2.00080 |
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- Total:16 Page 1 of 1 1
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Specification
The CAS registry number of Pyrimidine,4-chloro-6-ethyl-2-methyl- is 89966-72-3. The systematic name is 4-chloro-6-ethyl-2-methyl-pyrimidine. In addition, the molecular formula is C7H9ClN2 and the molecular weight is 156.61. It belongs to the classes of API Intermediates.
Physical properties about this chemical are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54 ; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 41.7 cm3; (9)Molar Volume: 136.9 cm3; (10)Polarizability: 16.53 ×10-24cm3; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.143 g/cm3; (13)Flash Point: 99.8 °C; (14)Enthalpy of Vaporization: 42.72 kJ/mol; (15)Boiling Point: 209.1 °C at 760 mmHg; (16)Vapour Pressure: 0.298 mmHg at 25°C.
Preparation of Pyrimidine,4-chloro-6-ethyl-2-methyl-: it can be prepared by 6-ethyl-2-methyl-4(3H)-pyrimidinone. This reaction will need reagent POCl3. The reaction time is 2 hours by heating. The yield is about 41%.
Uses of Pyrimidine,4-chloro-6-ethyl-2-methyl-: it can be used to get 4-ethyl-2-methyl-pyrimidine. This reaction will need reagent aq. NaCl/5percent and solvent benzene. The reaction time is 12 hours by heating. The yield is about 79%.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc(nc(n1)C)Cl
(2)InChI: InChI=1/C7H9ClN2/c1-3-6-4-7(8)10-5(2)9-6/h4H,3H2,1-2H3
(3)InChIKey: JQRFVVPNKXQKBM-UHFFFAOYAU