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73027-79-9

Basic Information
CAS No.: 73027-79-9
Name: 4,6-Dichloronicotinic acid
Article Data: 24
Cas Database
Molecular Structure:
Molecular Structure of 73027-79-9 (4,6-Dichloronicotinic acid)
Formula: C6H3Cl2NO2
Molecular Weight: 192.001
Synonyms: 4,6-Dichloropyridine-3-carboxylic acid;2,4-Dichloro-5-pyridinecarboxylic acid;3-Pyridinecarboxylicacid, 4,6-dichloro-;
EINECS: -0
Density: 1.612 g/cm3
Melting Point: 158-160 °C
Boiling Point: 336.997 °C at 760 mmHg
Flash Point: 157.61 °C
Solubility: Slightly soluble in water.
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 22-20/21/22
Safety: 24/25-36/37
Transport Information: N/A
PSA: 50.19000
LogP: 2.08660
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  • CAS NO.:73027-79-9

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Specification

4,6-Dichloronicotinic acid is an organic compound with the formula C6H3Cl2NO2, and its systematic name is the same with the product name. With the CAS registry number 73027-79-9, it is also named as 2,4-Dichloro-5-pyridinecarboxylic acid. It belongs to the product categories of Pyridine; Pyridines. In addition, the molecular weight is 192.00.

Physical properties of 4,6-Dichloronicotinic acid are: (1)ACD/LogP: 0.987; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.10; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 41.064 cm3; (15)Molar Volume: 119.088 cm3; (16)Polarizability: 16.279×10-24cm3; (17)Surface Tension: 62.83 dyne/cm; (18)Density: 1.612 g/cm3; (19)Flash Point: 157.61 °C; (20)Enthalpy of Vaporization: 61.239 kJ/mol; (21)Boiling Point: 336.997 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)O)cnc(Cl)c1
(2)Std. InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
(3)Std. InChIKey: ILMIEWNDXAKVNI-UHFFFAOYSA-N