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| CAS No.: | 215306-02-8 |
|---|---|
| Name: | 2-CHLOROPYRIDINE-3,4-DICARBOXYLIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H4ClNO4 |
| Molecular Weight: | 201.566 |
| Synonyms: | 2-Chloropyridine-3,4-dicarboxylicacid; |
| Density: | 1.684g/cm3 |
| Boiling Point: | 524.3 °C at 760 mmHg |
| Flash Point: | 270.9 °C |
| PSA: | 87.49000 |
| LogP: | 1.13140 |
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Specification
The 3,4-Pyridinedicarboxylicacid, 2-chloro-, with CAS registry number 215306-02-8, belongs to the following product category: Pyridines. It has the systematic name of 2-chloropyridine-3,4-dicarboxylic acid. And the chemical formula of this chemical is C7H4ClNO4.
Physical properties of 3,4-Pyridinedicarboxylicacid, 2-chloro-: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.18; (4)ACD/LogD (pH 7.4): -4.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 43.09 cm3; (15)Molar Volume: 119.6 cm3; (16)Polarizability: 17.08×10-24cm3; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.684 g/cm3; (19)Flash Point: 270.9 °C; (20)Enthalpy of Vaporization: 84.02 kJ/mol; (21)Boiling Point: 524.3 °C at 760 mmHg; (22)Vapour Pressure: 8.07E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(ccnc1Cl)C(=O)O
(2)InChI: InChI=1/C7H4ClNO4/c8-5-4(7(12)13)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)(H,12,13)
(3)InChIKey: IFFHNAPSEFZPIR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H4ClNO4/c8-5-4(7(12)13)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)(H,12,13)
(5)Std. InChIKey: IFFHNAPSEFZPIR-UHFFFAOYSA-N