Product Name

  • Name

    2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid

  • EINECS
  • CAS No. 505084-59-3
  • Article Data3
  • CAS DataBase
  • Density 1.603 g/cm3
  • Solubility
  • Melting Point 281ºC
  • Formula C7H3ClF3NO2
  • Boiling Point 301.5 °C at 760 mmHg
  • Molecular Weight 225.555
  • Flash Point 136.1 °C
  • Transport Information
  • Appearance
  • Safety 22-26-36/37/39-45
  • Risk Codes 22-36/37/38-25
  • Molecular Structure Molecular Structure of 505084-59-3 (2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Chloro-5-trifluoromethylnicotinic acid;
  • PSA 50.19000
  • LogP 2.45200

2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid Specification

The 3-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)-, with the CAS registry number 505084-59-3, is also known as 2-Chloro-5-trifluoromethylnicotinic acid. This chemical's molecular formula is C7H3ClF3NO2 and molecular weight is 225.5524. What's more, its IUPAC name is 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 41.14 cm3; (9)Molar Volume: 140.6 cm3; (10)Polarizability: 16.31×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.603 g/cm3; (13)Flash Point: 136.1 °C; (14)Enthalpy of Vaporization: 57.19 kJ/mol; (15)Boiling Point: 301.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000466 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(cnc1Cl)C(F)(F)F
(2) InChI: InChI=1/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
(3) InChIKey: RMSKYTKOFDQVEL-UHFFFAOYAX

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