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| CAS No.: | 590371-71-4 |
|---|---|
| Name: | 3-IODO-2-(TRIFLUOROMETHYL)PYRIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H3F3IN |
| Molecular Weight: | 272.996 |
| Synonyms: | 3-iodo-2-(trifluoromethyl)pyridine |
| Density: | 1.975 g/cm3 |
| Melting Point: | 42-43 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 210.089 °C at 760 mmHg |
| Flash Point: | 80.859 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 12.89000 |
| LogP: | 2.70500 |
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- Total:26 Page 1 of 1 1
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Specification
This chemical is called Pyridine,3-iodo-2-(trifluoromethyl)-, and its systematic name is 3-iodo-2-(trifluoromethyl)pyridine. With the molecular formula of C6H3F3IN, its molecular weight is 272.99. The CAS registry number of this chemical is 590371-71-4. Additionally, its product categories are Pyridine series; Halides; Pyridines.
Other characteristics of the Pyridine,3-iodo-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.251; (4)ACD/LogD (pH 7.4): 2.251; (5)ACD/BCF (pH 5.5): 30.258; (6)ACD/BCF (pH 7.4): 30.258; (7)ACD/KOC (pH 5.5): 399.58; (8)ACD/KOC (pH 7.4): 399.58; (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: 80.859 °C; (20)Enthalpy of Vaporization: 42.816 kJ/mol; (21)Boiling Point: 210.089 °C at 760 mmHg; (22)Vapour Pressure: 0.284 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(nc1)C(F)(F)F)I
2.InChI: InChI=1/C6H3F3IN/c7-6(8,9)5-4(10)2-1-3-11-5/h1-3H
3.InChIKey: AXIRKFLGSOEBGV-UHFFFAOYAV