5-Bromo-2-chloro-3-(trifluoromethyl)pyridine supplier

Name
5-Bromo-2-chloro-3-(trifluoromethyl)pyridine
EINECS
CAS No. 211122-40-6
Article Data3
CAS DataBase
Density 1.805 g/cm³
Solubility
Melting Point
Formula C₆H₂BrClF₃N
Boiling Point 210.17 °C at 760 mmHg
Molecular Weight 260.43899
Flash Point 80.908 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms RB1087
PSA 12.89000
LogP 3.51630

5-Bromo-2-chloro-3-(trifluoromethyl)pyridine Specification

With the CAS registry number 211122-40-6, the IUPAC name of 5-Bromo-2-chloro-3-(trifluoromethyl)pyridine is 5-bromo-2-chloro-3-(trifluoromethyl)pyridine. In addition, its molecular formula is C₆H₂BrClF₃N and molecular weight is 260.43899.

The other characteristics of 5-Bromo-2-chloro-3-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.985; (4)ACD/LogD (pH 7.4): 2.985; (5)ACD/BCF (pH 5.5): 109.338; (6)ACD/BCF (pH 7.4): 109.338; (7)ACD/KOC (pH 5.5): 1002.221; (8)ACD/KOC (pH 7.4): 1002.221; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 41.909 cm³; (15)Molar Volume: 144.303 cm³; (16)Polarizability: 16.614×10^-24cm³; (17)Surface Tension: 32.669 dyne/cm; (18)Density: 1.805 g/cm³; (19)Flash Point: 80.908 °C; (20)Enthalpy of Vaporization: 42.824 kJ/mol; (21)Boiling Point: 210.17 °C at 760 mmHg; (22)Vapour Pressure: 0.282 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(cnc(c1C(F)(F)F)Cl)Br
(2)InChI: InChI=1/C6H2BrClF3N/c7-3-1-4(6(9,10)11)5(8)12-2-3/h1-2H
(3)InChIKey: KPIJBKHHJXXREK-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H2BrClF3N/c7-3-1-4(6(9,10)11)5(8)12-2-3/h1-2H
(5)Std. InChIKey: KPIJBKHHJXXREK-UHFFFAOYSA-N

Product Name

5-Bromo-2-chloro-3-(trifluoromethyl)pyridine

5-Bromo-2-chloro-3-(trifluoromethyl)pyridine Specification

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