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| CAS No.: | 188781-08-0 |
|---|---|
| Name: | Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H9ClN2O2 |
| Molecular Weight: | 200.625 |
| Synonyms: | ethyl-2-chloro-4-methylpyrimidine-5-carboxylate; 2-chloro-4-methylpyrimidine-5-carboxylic acid ethyl ester; ethyl 2-chloro-4-methyl-5-pyrimidinecarboxylate; |
| Density: | 1.265 g/cm3 |
| Boiling Point: | 302.7 °C at 760 mmHg |
| Flash Point: | 136.9 °C |
| Solubility: | Slightly soluble in water. |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.08000 |
| LogP: | 1.61510 |
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Specification
The Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate has CAS registry number 188781-08-0. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.62226. What's more, its systematic name is Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate.
Physical properties about Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.03; (6)ACD/BCF (pH 7.4): 6.03; (7)ACD/KOC (pH 5.5): 125.9; (8)ACD/KOC (pH 7.4): 125.9; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 48.56 cm3; (15)Molar Volume: 158.5 cm3; (16)Polarizability: 19.25×10-24 cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 136.9 °C; (20)Enthalpy of Vaporization: 54.3 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000972 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1nc(Cl)ncc1C(=O)OCC
(2) InChI: InChI=1/C8H9ClN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3
(3) InChIKey: XJNJPQSXRUJCIB-UHFFFAOYAS