4-Hydroxynicotinic acid supplier

Name
4-Hydroxynicotinic acid
EINECS 210-197-7
CAS No. 609-70-1
Article Data17
CAS DataBase
Density 1.451 g/cm³
Solubility
Melting Point 256-259℃
Formula C₆H₅NO₃
Boiling Point 312.7 °C at 760 mmHg
Molecular Weight 139.111
Flash Point 142.9 °C
Transport Information
Appearance
Safety 36/37/39-36/37-24/25
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Nicotinicacid, 4-hydroxy- (6CI,7CI,8CI);4-Hydroxypyridine-3-carboxylic acid;4-oxo-1,4-dihydropyridine-3-carboxylic acid;
PSA 70.42000
LogP 0.48540

4-Hydroxynicotinic acid Specification

The 4-Hydroxynicotinic acid, with the CAS registry number 609-70-1 and EINECS registry number 210-197-7, has the systematic name of 4-oxo-1,4-dihydropyridine-3-carboxylic acid. And the molecular formula of this chemical is C₆H₅NO₃. It belongs to the following product categories: Blocks; Carboxes; Pyridines. What's more, it should keep cold.

The physical properties of 4-Hydroxynicotinic acid are as following: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -4.21; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.579 ; (14)Molar Refractivity: 31.84 cm³; (15)Molar Volume: 95.8 cm³; (16)Polarizability: 12.62×10^-24cm³; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 142.9 °C; (20)Enthalpy of Vaporization: 60.89 kJ/mol; (21)Boiling Point: 312.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000113 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/N/C=C1/C(=O)O
(2)InChI: InChI=1/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)
(3)InChIKey: CHCUBGPSZDGABM-UHFFFAOYAZ

Product Name

4-Hydroxynicotinic acid

4-Hydroxynicotinic acid Specification

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