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