Basic information
- Name:
Pyridine,2-chloro-4-iodo-5-(trifluoromethyl)-
- Superlist Name:
- 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
- CAS No.:
505084-55-9
- Molecular Structure:
- Formula:
- C6H2ClF3IN
- Molecular Weight:
- 307.44
- Synonyms:
- pyridine, 2-chloro-4-iodo-5-(trifluoromethyl)-;
- Density:
- 2.047 g/cm3
- Boiling Point:
- 257.596 °C at 760 mmHg
- Flash Point:
- 109.59 °C
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Specification
The 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine, with the CAS registry number 505084-55-9, has the systematic name of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine. It bleongs to the product categories of Halides and Pyridines. And the molecular formula of this chemical is C6H2ClF3IN.
The physical properties of 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine are as following: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.352; (4)ACD/LogD (pH 7.4): 4.352; (5)ACD/BCF (pH 5.5): 1195.349; (6)ACD/BCF (pH 7.4): 1195.349; (7)ACD/KOC (pH 5.5): 5552.261; (8)ACD/KOC (pH 7.4): 5552.261; (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: 47.126 cm3; (15)Molar Volume: 150.191 cm3; (16)Polarizability: 18.682×10-24cm3; (17)Surface Tension: 36.875 dyne/cm; (18)Density: 2.047 g/cm3; (19)Flash Point: 109.59 °C; (20)Enthalpy of Vaporization: 47.516 kJ/mol; (21)Boiling Point: 257.596 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cnc1Cl)C(F)(F)F)I
(2)InChI: InChI=1/C6H4ClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
(3)InChIKey: XEEQBBXEZSNIQV-UHFFFAOYAS
