2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid supplier

Name
2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%
EINECS
CAS No. 505084-58-2
Article Data3
CAS DataBase
Density 1.604 g/cm³
Solubility Slightly soluble in water.
Melting Point 185-186°C
Formula C₇H₃ClF₃NO₂
Boiling Point 281.673 °C at 760 mmHg
Molecular Weight 225.555
Flash Point 124.151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid;6-Chloro-2-(trifluoromethyl)nicotinic acid;6-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid;
PSA 50.19000
LogP 2.45200

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

Product Name

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

2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid Specification

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