Ethyl 2-chloropyrimidine-5-carboxylate supplier

Name
ETHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
EINECS
CAS No. 89793-12-4
Article Data19
CAS DataBase
Density 1.312 g/cm³
Solubility
Melting Point 52-60℃
Formula C₇H₇ClN₂O₂
Boiling Point 314.189 °C at 760 mmHg
Molecular Weight 186.598
Flash Point 143.816 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-(ethoxycarbonyl)pyrimidine;2-Chloropyrimidine-5-carboxylic acid ethyl ester;Ethyl-2-chloro-5-pyrimidinecarboxylate;
PSA 52.08000
LogP 1.30670

Ethyl 2-chloropyrimidine-5-carboxylate Specification

The 5-Pyrimidinecarboxylicacid, 2-chloro-, ethyl ester, with CAS registry number 89793-12-4, has the systematic name of ethyl 2-chloropyrimidine-5-carboxylate. Besides this chemical, it is also called 2-chloro-pyrimidine-5-carboxylic acid ethyl ester. And the chemical formula of this chemical is C₇H₇ClN₂O₂.

Physical properties of 5-Pyrimidinecarboxylicacid, 2-chloro-, ethyl ester: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 71; (8)ACD/KOC (pH 7.4): 71; (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: 1.527; (14)Molar Refractivity: 43.736 cm³; (15)Molar Volume: 142.231 cm³; (16)Polarizability: 17.338×10^-24cm³; (17)Surface Tension: 48.877 dyne/cm; (18)Enthalpy of Vaporization: 55.533 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(Cl)nc1
(2)InChI: InChI=1/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
(3)InChIKey: IEMKQRSOAOPKRJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
(5)Std. InChIKey: IEMKQRSOAOPKRJ-UHFFFAOYSA-N

Product Name

ETHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE

Ethyl 2-chloropyrimidine-5-carboxylate Specification

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