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Name |
Pyrimidine,4-chloro-6-ethyl-2-methyl- |
EINECS | N/A |
CAS No. | 89966-72-3 | Density | 1.143 g/cm3 |
PSA | 25.78000 | LogP | 2.00080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9ClN2 | Boiling Point | 209.1 °C at 760 mmHg |
Molecular Weight | 156.615 | Flash Point | 99.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Chloro-6-ethyl-2-methyl-pyrimidine; |
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