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518057-64-2

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Basic Information
CAS No.: 518057-64-2
Name: 6-Chloro-2-iodo-3-(trifluoromethyl)pyridine
Molecular Structure:
Molecular Structure of 518057-64-2 (6-Chloro-2-iodo-3-(trifluoromethyl)pyridine)
Formula: C6H2ClF3IN
Molecular Weight: 307.44
Synonyms: 2-Chloro-5-(trifluoromethyl)-6-iodopyridine;
Density: 2.047 g/cm3
Melting Point: -5-4 °C
Boiling Point: 273 °C at 760 mmHg
Flash Point: 110 °C
Hazard Symbols: ToxicT
PSA: 12.89000
LogP: 3.35840
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Specification

The CAS registry number of 6-Chloro-2-iodo-3-(trifluoromethyl)pyridine is 518057-64-2. This product is an organic compound with the formula C6H2ClF3IN. Its IUPAC name and product name are the same which is called  6-Chloro-2-iodo-3-(trifluoromethyl)pyridine. It is also named as 2-Chloro-5-(trifluoromethyl)-6-iodopyridine. In addition, the molecular weight is 307.44. It belongs to the product categories of Halides; Pyridines. This chemical at low levels can cause damage to health.

Physical properties about 6-Chloro-2-iodo-3-(trifluoromethyl)pyridine are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 756.34; (6)ACD/BCF (pH 7.4): 756.34; (7)ACD/KOC (pH 5.5): 4001.167; (8)ACD/KOC (pH 7.4): 4001.167; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 47.126 cm3; (14)Molar Volume: 150.191 cm3; (15)Surface Tension: 36.875 dyne/cm; (16)Density: 2.047 g/cm3; (17)Flash Point: 109.59 °C; (18)Enthalpy of Vaporization: 47.516 kJ/mol; (19)Boiling Point: 257.596 °C at 760 mmHg; (20)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1C(F)(F)F)I)Cl
(2)InChI: InChI=1/C6H2ClF3IN/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H
(3)InChIKey: DPAHBNHHPOZWCB-UHFFFAOYAN