3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)- supplier

Name
2-BROMO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID
EINECS
CAS No. 749875-07-8
Article Data4
CAS DataBase
Density 1.863 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-6-trifuoromethyl nitrotinic acid;
PSA 50.19000
LogP 2.56110

3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)- Specification

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

Product Name

2-BROMO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID

3-Pyridinecarboxylicacid, 2-bromo-6-(trifluoromethyl)- Specification

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