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3,4,5-Trichloropyridine-2-carboxylic acid

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Name

3,4,5-Trichloropyridine-2-carboxylic acid

EINECS -0
CAS No. 5439-04-3 Density 1.728g/cm3
PSA 50.19000 LogP 2.74000
Solubility N/A Melting Point N/A
Formula C6H2Cl3NO2 Boiling Point 335.9 °C at 760 mmHg
Molecular Weight 226.446 Flash Point 157 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5439-04-3 (3,4,5-Trichloropyridine-2-carboxylic acid) Hazard Symbols N/A
Synonyms

3,4,5-trichloropyridine-2-carboxylate;2-Pyridinecarboxylic acid, 3,4,5-trichloro-;

 

3,4,5-Trichloropyridine-2-carboxylic acid Specification

The 3,4,5-Trichloropyridine-2-carboxylic acid with the CAS number 5439-04-3 is also called 2-Pyridinecarboxylic acid, 3,4,5-trichloro-. The IUPAC name is 3,4,5-trichloropyridine-2-carboxylate. Its molecular formula is C6H2Cl3NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3,4,5-Trichloropyridine-2-carboxylic acid are: (1)ACD/LogP: 1.92; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 45.95 cm3; (13)Molar Volume: 131 cm3; (14)Polarizability: 18.21×10-24cm3; (15)Surface Tension: 64.3 dyne/cm; (16)Enthalpy of Vaporization: 61.12 kJ/mol; (17)Vapour Pressure: 4.56×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(Cl)c(Cl)cnc1C(=O)O
(2)InChI: InChI=1/C6H2Cl3NO2/c7-2-1-10-5(6(11)12)4(9)3(2)8/h1H,(H,11,12)
(3)InChIKey: SKURPVMALGSJSE-UHFFFAOYAM

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