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CAS No.: | 32383-03-2 |
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Name: | 6-CHLOROPYRIDINE-2,3-DICARBOXYLIC ACID DIMETHYL ESTER |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H8ClNO4 |
Molecular Weight: | 229.62 |
Synonyms: | 6-Chloro-2,3-pyridinedicarboxylicacid dimethyl ester;Dimethyl 6-chloropyridine-2,3-dicarboxylate;2,3-Pyridinedicarboxylicacid, 6-chloro-, dimethyl ester (8CI,9CI); |
Density: | 1.347 g/cm3 |
Boiling Point: | 298.8 °C at 760 mmHg |
Flash Point: | 134.5 °C |
PSA: | 65.49000 |
LogP: | 1.30820 |
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The 2,3-Pyridinedicarboxylicacid, 6-chloro-, 2,3-dimethyl ester, with the CAS registry number 32383-03-2, is also known as 6-Chloropyridine-2,3-dicarboxylic acid dimethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C9H8ClNO4 and molecular weight is 229.61712. Its IUPAC name is called dimethyl 6-chloropyridine-2,3-dicarboxylate.
Physical properties of 2,3-Pyridinedicarboxylicacid, 6-chloro-, 2,3-dimethyl ester: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 2.49; (5)ACD/BCF (pH 7.4): 2.49; (6)ACD/KOC (pH 5.5): 66.93; (7)ACD/KOC (pH 7.4): 66.93; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 52.78 cm3; (12)Molar Volume: 170.3 cm3; (13)Surface Tension: 47.3 dyne/cm; (14)Density: 1.347 g/cm3; (15)Flash Point: 134.5 °C; (16)Enthalpy of Vaporization: 53.88 kJ/mol; (17)Boiling Point: 298.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(N=C(C=C1)Cl)C(=O)OC
(2)InChI: InChI=1S/C9H8ClNO4/c1-14-8(12)5-3-4-6(10)11-7(5)9(13)15-2/h3-4H,1-2H3
(3)InChIKey: KEKUTUAIDOVRDG-UHFFFAOYSA-N