Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 749875-07-8 | Density | 1.863 g/cm3 |
PSA | 50.19000 | LogP | 2.56110 |
Solubility | N/A | Melting Point |
130-132 °C |
Formula | C7H3BrF3NO2 | Boiling Point | 289.8 °C at 760 mmHg |
Molecular Weight | 270.006 | Flash Point | 129 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-6-trifuoromethyl nitrotinic acid; |
Article Data | 4 |
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