CAS No.69422-72-6,2,4,6-TRICHLORONICOTINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69422-72-6
Name:	2,4,6-TRICHLORONICOTINIC ACID
Article Data:	7

Formula:	C₆H₂Cl₃NO₂
Molecular Weight:	226.446
Synonyms:	2,4,6-Trichloronicotinic acid;
Density:	1.728 g/cm³
Boiling Point:	357.4 °C at 760 mmHg
Flash Point:	169.9 °C
PSA:	50.19000
LogP:	2.74000

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Specification

The 3-Pyridinecarboxylicacid, 2,4,6-trichloro-, with the CAS registry number 69422-72-6, is also known as 2,4,6-Trichloronicotinic acid. This chemical's molecular formula is C₆H₂Cl₃NO₂ and molecular weight is 226.4446. What's more, its systematic name is called 2,4,6-Trichloropyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 2,4,6-trichloro- are: (1)ACD/LogP: 1.23; (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: 50.19 Å²; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 45.95 cm³; (13)Molar Volume: 131 cm³; (14)Polarizability: 18.21×10^-24 cm³; (15)Surface Tension: 64.3 dyne/cm; (16)Density: 1.728 g/cm³; (17)Flash Point: 169.9 °C; (18)Enthalpy of Vaporization: 63.6 kJ/mol; (19)Boiling Point: 357.4 °C at 760 mmHg; (20)Vapour Pressure: 9.98E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(Cl)cc(Cl)nc1Cl
(2) InChI: InChI=1/C6H2Cl3NO2/c7-2-1-3(8)10-5(9)4(2)6(11)12/h1H,(H,11,12)
(3) InChIKey: XORBTGOVTLGEOU-UHFFFAOYAI