Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pyridine,3-iodo-2-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 590371-71-4 | Density | 1.975 g/cm3 |
PSA | 12.89000 | LogP | 2.70500 |
Solubility | N/A | Melting Point |
42-43 °C(Solv: hexane (110-54-3)) |
Formula | C6H3F3IN | Boiling Point | 210.089 °C at 760 mmHg |
Molecular Weight | 272.996 | Flash Point | 80.859 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-iodo-2-(trifluoromethyl)pyridine |
Article Data | 2 |
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