CAS No.80194-68-9,3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80194-68-9
Name:	3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
Article Data:	6

Formula:	C₇H₃ClF₃NO₂
Molecular Weight:	225.555
Synonyms:	3-Chloro-5-trifluoromethyl-pyridine-2-carboxylicacid;
Density:	1.603 g/cm³
Melting Point:	141-143 °C
Boiling Point:	269.6 °C at 760 mmHg
Flash Point:	116.9 °C
PSA:	50.19000
LogP:	2.45200

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Specification

The 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, with the CAS registry number 80194-68-9, is also known as 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid. This chemical's molecular formula is C₇H₃ClF₃NO₂ and molecular weight is 225.55. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Physical properties about 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.70; (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: 1.496; (12)Molar Refractivity: 41.14 cm³; (13)Molar Volume: 140.6 cm³; (14)Surface Tension: 41.3 dyne/cm; (15)Density: 1.603 g/cm³; (16)Flash Point: 116.9 °C; (17)Enthalpy of Vaporization: 53.64 kJ/mol; (18)Boiling Point: 269.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00353 mmHg at 25 °C; (20)Melting Point: 141-143 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cnc1C(=O)O)C(F)(F)F
(2) InChI: InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
(3) InChIKey: HXRMCZBDTDCCOP-UHFFFAOYAC