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505084-58-2

Basic Information
CAS No.: 505084-58-2
Name: 2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%
Article Data: 3
Molecular Structure:
Molecular Structure of 505084-58-2 (2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%)
Formula: C7H3ClF3NO2
Molecular Weight: 225.555
Synonyms: 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid;6-Chloro-2-(trifluoromethyl)nicotinic acid;6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid;
Density: 1.604 g/cm3
Melting Point: 185-186°C
Boiling Point: 281.673 °C at 760 mmHg
Flash Point: 124.151 °C
Solubility: Slightly soluble in water.
Hazard Symbols: Xi
PSA: 50.19000
LogP: 2.45200
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    2-Chloro-5-(trifluoroMethyl)pyridine-4-carboxylic acid

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    2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%

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  • 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid

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    505084-58-2

    2-chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid

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Specification

The 4-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)-, with the CAS registry number 505084-58-2, has the systematic name of 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid. It belongs to the product categories of Carboxylic Acids and Pyridines. And the molecular formula of the chemical is C7H3ClF3NO2.

The characteristics of 4-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)- are as followings: (1)ACD/LogP: 0.84; (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: 1.497; (12)Molar Refractivity: 41.149 cm3; (13)Molar Volume: 140.648 cm3; (14)Polarizability: 16.313×10-24cm3; (15)Surface Tension: 41.335 dyne/cm; (16)Density: 1.604 g/cm3; (17)Flash Point: 124.151 °C; (18)Enthalpy of Vaporization: 54.975 kJ/mol; (19)Boiling Point: 281.673 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(nc(Cl)cc1)C(F)(F)F
(2)InChI: InChI=1/C7H3ClF3NO2/c8-4-2-1-3(6(13)14)5(12-4)7(9,10)11/h1-2H,(H,13,14)
(3)InChIKey: UDYRRHUXOXTWBD-UHFFFAOYAM