Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate |
EINECS | N/A |
CAS No. | 2134-36-3 | Density | 1.266 g/cm3 |
PSA | 52.08000 | LogP | 1.61510 |
Solubility | N/A | Melting Point |
31 °C |
Formula | C8H9ClN2O2 | Boiling Point | 276.187 °C at 760 mmHg |
Molecular Weight | 200.625 | Flash Point | 120.834 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 4-chloro-2-methyl-5-pyrimidinecarboxylate; |
Article Data | 12 |
The Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate, with the CAS registry number 2134-36-3, is also known as 5-Pyrimidinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.62. What's more, its systematic name is Ethyl 4-chloro-2-methyl-5-pyrimidinecarboxylate.
Physical properties of Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate are: (1)ACD/LogP: 1.048; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.50; (8)ACD/KOC (pH 7.4): 88.50; (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: 48.561 cm3; (15)Molar Volume: 158.506 cm3; (16)Polarizability: 19.251×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 120.834 °C; (20)Enthalpy of Vaporization: 51.468 kJ/mol; (21)Boiling Point: 276.187 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(C)ncc1C(=O)OCC
(2)Std. InChI: InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3
(3)Std. InChIKey: LXIAVLIGRIDNHQ-UHFFFAOYSA-N