Ethyl 3-chloroisonicotinate supplier

Name
3-CHLOROISONICOTINIC ACID ETHYL ESTER
EINECS
CAS No. 211678-96-5
Article Data4
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₈H₈ClNO₂
Boiling Point 250.2 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 105.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloropyridine-4-carboxylic acid ethyl ester;
PSA 39.19000
LogP 1.91170

Ethyl 3-chloroisonicotinate Specification

The Ethyl 3-chloroisonicotinate, with the CAS registry number 211678-96-5, is also known as 3-Chloropyridine-4-carboxylic acid ethyl ester. It belongs to the product category of Carboxylicester. This chemical's molecular formula is C₈H₈ClNO₂ and molecular weight is 185.61. What's more, its systematic name is Ethyl 3-chloropyridine-4-carboxylate.

Physical properties about Ethyl 3-chloroisonicotinate are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.83; (6)ACD/BCF (pH 7.4): 17.83; (7)ACD/KOC (pH 5.5): 273.68; (8)ACD/KOC (pH 7.4): 273.69; (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: 1.524; (14)Molar Refractivity: 45.64 cm³; (15)Molar Volume: 149 cm³; (16)Polarizability: 18.09×10^-24 cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 105.1 °C; (20)Enthalpy of Vaporization: 48.75 kJ/mol; (21)Boiling Point: 250.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0219 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccncc1Cl
(2) InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3
(3) InChIKey: VNSAFDGQUZWUFE-UHFFFAOYAL

Product Name

3-CHLOROISONICOTINIC ACID ETHYL ESTER

Ethyl 3-chloroisonicotinate Specification

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