CAS No.51940-64-8,ethyl 2,4-dichloropyrimidine-5-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51940-64-8
Name:	ethyl 2,4-dichloropyrimidine-5-carboxylate
Article Data:	23

Formula:	C₇H₆Cl₂N₂O₂
Molecular Weight:	221.043
Synonyms:	2,4-Dichloro-5-carbethoxypyrimidine;2,4-Dichloro-5-carboethoxypyrimidine;2,4-Dichloro-5-ethoxycarbonylpyrimidine;2,4-Dichloropyrimidine-5-carboxylic acid ethyl ester;5-Carbethoxy-2,4-dichloropyrimidine;Ethyl 2,4-dichloro-5-pyrimidinecarboxylate;
EINECS:	257-531-8
Density:	1.433g/cm³
Melting Point:	36-37 °C
Boiling Point:	311.9 °C at 760 mmHg
Flash Point:	142.4 °C
Solubility:	Slightly soluble in water.
PSA:	52.08000
LogP:	1.96010

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Specification

The 5-Pyrimidinecarboxylicacid, 2,4-dichloro-, ethyl ester, with CAS registry number 51940-64-8, belongs to the following product categories: (1)Acids and Derivatives; (2)Heterocycles; (3)Pharmacetical. It has the systematic name of ethyl 2,4-dichloropyrimidine-5-carboxylate. And the chemical formula of this chemical is C₇H₆Cl₂N₂O₂. What's more, its EINECS is 257-531-8.

Physical properties of 5-Pyrimidinecarboxylicacid, 2,4-dichloro-, ethyl ester: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.3; (6)ACD/BCF (pH 7.4): 6.3; (7)ACD/KOC (pH 5.5): 129.9; (8)ACD/KOC (pH 7.4): 129.9; (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: 1.543; (14)Molar Refractivity: 48.63 cm³; (15)Molar Volume: 154.1 cm³; (16)Polarizability: 19.27×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.433 g/cm³; (19)Flash Point: 142.4 °C; (20)Enthalpy of Vaporization: 55.28 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000549 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ncc1C(=O)OCC
(2)InChI: InChI=1/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3
(3)InChIKey: SRJBDGLSCPDXBL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3
(5)Std. InChIKey: SRJBDGLSCPDXBL-UHFFFAOYSA-N