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2,5-Pyridinedicarboxylic acid

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Name

2,5-Pyridinedicarboxylic acid

EINECS 202-834-2
CAS No. 100-26-5 Density 1.551 g/cm3
Solubility Melting Point 242-247 °C (dec.)(lit.)
Formula C7H5NO4 Boiling Point 441.1 °C at 760 mmHg
Molecular Weight 167.12 Flash Point 220.5 °C
Transport Information Appearance Yellow to green fine crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 100-26-5 (2,5-Pyridinedicarboxylicacid) Hazard Symbols IrritantXi
Synonyms

Isocinchomeronicacid;NSC 177;Isocinchomeronic acid;Pyridine-2,5-dicarboxylic acid;Pyridine 2,5-dicarboxylate;

 

2,5-Pyridinedicarboxylic acid Specification

The 2,5-Pyridinedicarboxylicacid with CAS registry number of 100-26-5 is also known as Isocinchomeronic acid. The IUPAC name is Pyridine-2,5-dicarboxylic acid. It belongs to product categories of Pyridines, Pyrimidines, Purines and Pteredines; Heterocyclic Compounds. Its EINECS registry number is 202-834-2. In addition, the formula is C7H5NO4 and the molecular weight is 167.12. This chemical is a yellow to green fine crystalline powder that slightly soluble in boiling water and boiling ethanol. It should be sealed in ventilated, cool place away from fire, heat and oxidants. Furthermore, this chemical is used as intermediates of pesticides, fuel and is also used for manufacture of nicotinic acid.

Physical properties about 2,5-Pyridinedicarboxylicacid are: (1)ACD/LogP: -0.25; (2)ACD/LogD (pH 5.5): -3.91; (3)ACD/LogD (pH 7.4): -4.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 38.2 cm3; (13)Molar Volume: 107.7 cm3; (14)Surface Tension: 83.5 dyne/cm; (15)Density: 1.551 g/cm3; (16)Flash Point: 220.5 °C; (17)Enthalpy of Vaporization: 73.6 kJ/mol; (18)Boiling Point: 441.1 °C at 760 mmHg; (19)Vapour Pressure: 1.48E-08 mmHg at 25 °C.

Preparation of 2,5-Pyridinedicarboxylicacid: it is prepared by reaction of 2-methyl-5-vinyl-pyridine. The reaction needs reagent KMnO4 and solvent H2O at the temperature of 98 °C for 189 minutes. The yield is about 72.4%.

2,5-Pyridinedicarboxylicacid is prepared by reaction of 2-methyl-5-vinyl-pyridine.

Uses of 2,5-Pyridinedicarboxylicacid: it is used to produce 1-oxy-pyridine-2,5-dicarboxylic acid. The reaction occurs with reagent 15 percent H2O2 and solvent toluene at thetemperature of 90 °C for 6 hours. The yield is about 96%.

2,5-Pyridinedicarboxylicacid is used to produce 1-oxy-pyridine-2,5-dicarboxylic acid.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=NC=C1C(=O)O)C(=O)O
2. InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
3. InChIKey: LVPMIMZXDYBCDF-UHFFFAOYSA-N

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