Name: dimethyl 4-chloropyridine-2,6-dicarboxylate
SKU: 5371-70-0

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Basic Information

Molecular Structure:
CAS No.:	5371-70-0
Name:	dimethyl 4-chloropyridine-2,6-dicarboxylate
Article Data:	48

Formula:	C₉H₈ClNO₄
Molecular Weight:	229.62
Synonyms:	2,6-Pyridinedicarboxylicacid, 4-chloro-, dimethyl ester (6CI,7CI,8CI,9CI);2,6-Bis(carbomethoxy)-4-chloropyridine;4-Chloro-2,6-pyridinedicarboxylic acid dimethyl ester;Dimethyl 4-chloropyridine-2,6-dicarboxylate;NSC 41773;229.6171;
Density:	1.347 g/cm³
Melting Point:	168ºC
Boiling Point:	355.2 °C at 760 mmHg
Flash Point:	168.6 °C
Solubility:	Slightly soluble in water.
Risk Codes:	20/21/22
Safety:	24/25-36/37
PSA:	65.49000
LogP:	1.30820

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Specification

The 2,6-Pyridinedicarboxylicacid, 4-chloro-, 2,6-dimethyl ester with CAS registry number of 5371-70-0 is also known as 2,6-Pyridinedicarboxylic acid, 4-chloro-, dimethyl ester. The IUPAC name is Dimethyl 4-chloropyridine-2,6-dicarboxylate. In addition, the formula is C₉H₈ClNO₄ and the molecular weight is 229.62.

Physical properties about 2,6-Pyridinedicarboxylicacid, 4-chloro-, 2,6-dimethyl ester are: (1)ACD/LogP: 1.12 ; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 65.49Å²; (5)Index of Refraction: 1.531; (6)Molar Refractivity: 52.78 cm³; (7)Molar Volume: 170.3 cm³; (8)Polarizability: 20.92×10^-24cm³; (9)Surface Tension: 47.3 dyne/cm; (10)Density: 1.347 g/cm³; (11)Flash Point: 168.6 °C; (12)Enthalpy of Vaporization: 60.03 kJ/mol; (13)Boiling Point: 355.2 °C at 760 mmHg; (14)Vapour Pressure: 3.18E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl
2. InChI: InChI=1S/C9H8ClNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
3. InChIKey: NFXKYKHKNUFOKB-UHFFFAOYSA-N