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| CAS No.: | 590371-73-6 |
|---|---|
| Name: | 4-Iodo-2-(trifluoromethyl)pyridine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H3F3IN |
| Molecular Weight: | 272.996 |
| Synonyms: | 4-Iodo-2-(trifluoromethyl)pyridine |
| Density: | 1.975 g/cm3 |
| Melting Point: | 24-26 °C |
| Boiling Point: | 206.178 °C at 760 mmHg |
| Flash Point: | 78.494 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 12.89000 |
| LogP: | 2.70500 |
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Specification
The Pyridine,4-iodo-2-(trifluoromethyl)-, with the CAS registry number 590371-73-6, has the systematic name of 4-iodo-2-(trifluoromethyl)pyridine. It belongs to the following product categories: Pyridine series; Halides; Pyridines; Heterocycle; Pyridine. And the molecular formula of this chemical is C6H3F3IN.
The physical properties of Pyridine,4-iodo-2-(trifluoromethyl)- are as following: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 35; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 445; (8)ACD/KOC (pH 7.4): 445; (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: 1.523; (14)Molar Refractivity: 42.231 cm3; (15)Molar Volume: 138.241 cm3; (16)Polarizability: 16.742×10-24cm3; (17)Surface Tension: 34.173 dyne/cm; (18)Density: 1.975 g/cm3; (19)Flash Point: 78.494 °C; (20)Enthalpy of Vaporization: 42.436 kJ/mol; (21)Boiling Point: 206.178 °C at 760 mmHg; (22)Vapour Pressure: 0.345 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1I)C(F)(F)F
(2)InChI: InChI=1/C6H3F3IN/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
(3)InChIKey: OYQSAEIWDLIZHC-UHFFFAOYAF