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CAS No.: | 749875-07-8 |
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Name: | 2-BROMO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H3BrF3NO2 |
Molecular Weight: | 270.006 |
Synonyms: | 2-Chloro-6-trifuoromethyl nitrotinic acid; |
Density: | 1.863 g/cm3 |
Melting Point: | 130-132 °C |
Boiling Point: | 289.8 °C at 760 mmHg |
Flash Point: | 129 °C |
PSA: | 50.19000 |
LogP: | 2.56110 |
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The 3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)-, with the CAS registry number of 749875-07-8, is also known as 2-Chloro-6-trifuoromethyl nitrotinic acid. Its molecular formula is C7H3BrF3NO2 and molecular weight is 270.00. What's more, its systematic name is 2-Bromo-6-(trifluoromethyl)pyridine-3-carboxylic acid.
Physical properties about the 3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)- are: (1)ACD/LogP: 1.33; (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: 1.518; (8)Molar Refractivity: 43.94 cm3; (9)Molar Volume: 144.8 cm3; (10)Surface Tension: 43.1 dyne/cm; (11)Density: 1.863 g/cm3; (12)Flash Point: 129 °C; (13)Enthalpy of Vaporization: 55.88 kJ/mol; (14)Boiling Point: 289.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000995 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(nc1Br)C(F)(F)F
(2) InChI: InChI=1/C7H3BrF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
(3) InChIKey: YLKWDJIZOAKOIM-UHFFFAOYAR