Ethyl 4-chloronicotinate supplier

Name
4-CHLORO-NICOTINIC ACID ETHYL ESTER HYDROCHLORIDE
EINECS
CAS No. 37831-62-2
Article Data1
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point
Formula C₈H₈ClNO₂
Boiling Point 245.123 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 102.047 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloronicotinicacid ethyl ester;Ethyl 4-chloronicotinoate;
PSA 39.19000
LogP 1.91170

Ethyl 4-chloronicotinate Specification

The Ethyl 4-chloronicotinate with cas registry number of 37831-62-2, belongs to the following product categories: (1)Esters; (2)Pyridines. It has the systematic name of ethyl 4-chloropyridine-3-carboxylate. And it is also named 3-pyridinecarboxylic acid, 4-chloro-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 166; (8)ACD/KOC (pH 7.4): 166; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 45.645 cm³; (15)Molar Volume: 149.007 cm³; (16)Polarizability: 18.095×10^-24cm³; (17)Surface Tension: 43.16 dyne/cm; (18)Enthalpy of Vaporization: 48.22 kJ/mol; (19)Vapour Pressure: 0.029 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccncc1C(=O)OCC;
(2)InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3;
(3)InChIKey: STYWLPMGYBPSRJ-UHFFFAOYAQ;
(4)Std. InChI: InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3;
(5)Std. InChIKey: STYWLPMGYBPSRJ-UHFFFAOYSA-N

Product Name

4-CHLORO-NICOTINIC ACID ETHYL ESTER HYDROCHLORIDE

Ethyl 4-chloronicotinate Specification

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