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Name |
2-Fluoro-3-iodotoluene |
EINECS | N/A |
CAS No. | 916420-21-8 | Density | 1.788g/cm3 |
PSA | 0.00000 | LogP | 2.73870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6FI | Boiling Point | 211.4 °C at 760 mmHg |
Molecular Weight | 236.0254 | Flash Point | 84.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-fluoro-1-iodo-3-methylbenzene |
The 2-Fluoro-3-iodotoluene, with CAS registry number 916420-21-8, has the systematic name of Benzene, 2-fluoro-1-iodo-3-methyl-. Besides this, it is also called 2-Fluoro-1-iodo-3-methylbenzene. And the chemical formula of this chemical is C7H6FI.
Physical properties of 2-Fluoro-3-iodotoluene: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.58; (9)Molar Refractivity: 43.97 cm3; (10)Molar Volume: 131.9 cm3; (11)Polarizability: 17.43×10-24cm3; (12)Surface Tension: 37.9 dyne/cm; (13)Enthalpy of Vaporization: 42.94 kJ/mol; (14)Vapour Pressure: 0.265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(I)c1F
(2)InChI: InChI=1/C7H6FI/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
(3)InChIKey: SDFQHVROPUQHCT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6FI/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
(5)Std. InChIKey: SDFQHVROPUQHCT-UHFFFAOYSA-N