-
Name
ETHYL 6-CHLORO-2-PYRIDINECARBOXYLATE
- EINECS
- CAS No. 21190-89-6
- Article Data13
- CAS DataBase
- Density 1.246 g/cm3
- Solubility
- Melting Point
- Formula C8H8ClNO2
- Boiling Point 289.317 °C at 760 mmHg
- Molecular Weight 185.6076
- Flash Point 128.775 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Picolinic acid, 6-chloro-, ethyl ester (8CI);6-Chloropyridine-2-carboxylic acid ethyl ester;Ethyl 6-chloro-2-pyridinecarboxylate;
- PSA 39.19000
- LogP 1.91170
Ethyl 6-chloro-2-pyridinecarboxylate Specification
The 2-Pyridinecarboxylicacid, 6-chloro-, ethyl ester is an organic compound with the formula C8H8ClNO2. The systematic name of this chemical is Ethyl 6-chloropyridine-2-carboxylate. With the CAS registry number 21190-89-6, it is also named as Ethyl 2-chloro-6-pyridinecarboxylate. Besides, its molecular weight is 185.6076.
The physical properties of 2-Pyridinecarboxylicacid, 6-chloro-, ethyl ester are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 218; (7)ACD/KOC (pH 7.4): 218; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 45.645 cm3; (13)Molar Volume: 149.007 cm3; (14)Polarizability: 18.095×10-24 cm3; (15)Surface Tension: 43.16 dyne/cm; (16)Density: 1.246 g/cm3; (17)Flash Point: 128.775 °C; (18)Enthalpy of Vaporization: 52.861 kJ/mol; (19)Boiling Point: 289.317 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccc(Cl)n1
(2)InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
(3)InChIKey: ORSVWYSFUABOQU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
(5)Std. InChIKey: ORSVWYSFUABOQU-UHFFFAOYSA-N
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