3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo- supplier

Name
4,6-Dihydroxynicotinic acid
EINECS
CAS No. 5466-62-6
Density 1.708 g/cm³
Solubility
Melting Point 309-311 °C
Formula C₆H₅NO₄
Boiling Point 712.615 °C at 760 mmHg
Molecular Weight 155.11
Flash Point 384.776 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dihydroxy-5-carboxypyridine;4,6-Dihydroxynicotinic acid;5-Carboxy-4-hydroxy-2-pyridone;NSC 25748;NSC26363;
PSA 90.65000
LogP 0.19100

3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo- Specification

The 3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo-, with the CAS registry number 5466-62-6, is also known as Nicotinic acid, 4,6-dihydroxy-. It belongs to the product category of Pyridines. This chemical's molecular formula is C₆H₅NO₄ and molecular weight is 155.1082. Its IUPAC name is called 6-hydroxy-4-oxo-1H-pyridine-3-carboxylic acid.

Physical properties of 3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo-: (1)ACD/LogP: 0.92; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.686; (10)Molar Refractivity: 35.037 cm³; (11)Molar Volume: 92.046 cm³; (12)Surface Tension: 103.478 dyne/cm; (13)Density: 1.685 g/cm³; (14)Flash Point: 384.776 °C; (15)Enthalpy of Vaporization: 109.384 kJ/mol; (16)Boiling Point: 712.615 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(NC=C(C1=O)C(=O)O)O
(2)InChI: InChI=1S/C6H5NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h1-2H,(H,10,11)(H2,7,8,9)
(3)InChIKey: QJLHSJRQOWSNMD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03055,

Product Name

4,6-Dihydroxynicotinic acid

3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo- Specification

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