-
Name
4-CHLORO-PYRIDINE-2,6-DICARBOXYLIC ACID
- EINECS
- CAS No. 4722-94-5
- Article Data30
- CAS DataBase
- Density 1.684 g/cm3
- Solubility
- Melting Point 210 °C
- Formula C7H4ClNO4
- Boiling Point 457.1 °C at 760 mmHg
- Molecular Weight 201.56
- Flash Point 230.2 °C
- Transport Information
- Appearance
- Safety 36/37
- Risk Codes 20/21/22
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Chloro-2,6-dipicolinicacid;4-Chlorodipicolinic acid;4-Chloropyridine-2,6-dicarboxylate;4-Chloropyridine-2,6-dicarboxylic acid;NSC 194835;
- PSA 87.49000
- LogP 1.13140
4-Chloro-2,6-pyridinedicarboxylic acid Specification
The 4-Chloro-2,6-pyridinedicarboxylic acid, with the CAS registry number4722-94-5 , is also known as 2,6-Pyridinedicarboxylic acid, 4-chloro-. This chemical's molecular formula is C7H4ClNO4 and molecular weight is 201.56. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloropyridine-2,6-dicarboxylic acid.
Physical properties about 4-Chloro-2,6-pyridinedicarboxylic acid are: (1) ACD/LogP: 0.44; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 5; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 2; (10) Polar Surface Area: 65.49 Å2; (11) Index of Refraction: 1.639; (12) Molar Refractivity: 43.09 cm3; (13) Molar Volume: 119.6 cm3; (14) Surface Tension: 83.3 dyne/cm; (15) Density: 1.684 g/cm3; (16) Flash Point: 230.2 °C; (17) Enthalpy of Vaporization: 75.57 kJ/mol; (18) Boiling Point: 457.1 °C at 760 mmHg; (19) Vapour Pressure: 3.79E-09 mmHg at 25°C; (20) Melting Point: 210 °C.
Uses of 4-Chloro-2,6-pyridinedicarboxylic acid: it is used to produce other chemicals. For example, it is used to produce 4-Dimethylamino-pyridine-2,6-dicarboxylic acid .
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The reaction occurs with reagent H2SO4 and at temperature of 120 °C. The yield is 43 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(nc(C(=O)O)c1)C(=O)O
(2) InChI: InChI=1/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(3) InChIKey: IYUMNONNHYADBU-UHFFFAOYAX
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