2-Chloro-3-iodo-6-(trifluoromethyl)pyridine supplier

Name
2-Chloro-3-iodo-6-(trifluoromethyl)pyridine
EINECS
CAS No. 205240-59-1
Article Data6
CAS DataBase
Density 2.046 g/cm³
Solubility
Melting Point
Formula C₆H₂ClF₃IN
Boiling Point 232.6 °C at 760 mmHg
Molecular Weight 307.441
Flash Point 94.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine;
PSA 12.89000
LogP 3.35840

2-Chloro-3-iodo-6-(trifluoromethyl)pyridine Specification

The systematic name of 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine is 2-chloro-3-iodo-6-(trifluoromethyl)pyridine. With the CAS registry number 205240-59-1, it is also named as Pyridine, 2-chloro-3-iodo-6-(trifluoromethyl)-. In addition, its molecular formula is C₆H₂ClF₃IN and molecular weight is 307.4395.

The other characteristics of 2-Chloro-3-iodo-6-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.89; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 537.04; (6)ACD/BCF (pH 7.4): 537.04; (7)ACD/KOC (pH 5.5): 3131.44; (8)ACD/KOC (pH 7.4): 3131.44; (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: 1.54; (14)Molar Refractivity: 47.12 cm³; (15)Molar Volume: 150.1 cm³; (16)Polarizability: 18.68×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 2.046 g/cm³; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 45.02 kJ/mol; (21)Boiling Point: 232.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0892 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Ic1ccc(nc1Cl)C(F)(F)F
(2)InChI: InChI=1/C6H2ClF3IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
(3)InChIKey: OQDHZJUOSNEOQF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H2ClF3IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
(5)Std. InChIKey: OQDHZJUOSNEOQF-UHFFFAOYSA-N

Product Name

2-Chloro-3-iodo-6-(trifluoromethyl)pyridine

2-Chloro-3-iodo-6-(trifluoromethyl)pyridine Specification

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