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| CAS No.: | 914636-91-2 |
|---|---|
| Name: | Benzene, 1-bromo-2,4-difluoro-5-iodo- |
| Molecular Structure: | |
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| Formula: | C6H2BrF2I |
| Molecular Weight: | 318.887 |
| Synonyms: | 1-Bromo-2,4-difluoro-5-iodobenzene |
| Density: | 2.342 g/cm3 |
| Boiling Point: | 233.5 °C at 760 mmHg |
| Flash Point: | 95 °C |
| PSA: | 0.00000 |
| LogP: | 3.33190 |
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Specification
The 1-Bromo-2,4-difluoro-5-iodo-Benzene, with CAS registry number 914636-91-2, has the systematic name of 1-bromo-2,4-difluoro-5-iodo-benzene. And its IUPAC name is the same one. The chemical formula of this chemical is C6H2BrF2I.
Physical properties of 1-bromo-2,4-difluoro-5-iodo-Benzene: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 46.83 cm3; (10)Molar Volume: 136.1 cm3; (11)Polarizability: 18.56×10-24cm3; (12)Surface Tension: 42.5 dyne/cm; (13)Enthalpy of Vaporization: 45.12 kJ/mol; (14)Vapour Pressure: 0.0848 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1F)I)Br)F
(2)InChI: InChI=1/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
(3)InChIKey: OKFGWPYCEDYPAF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
(5)Std. InChIKey: OKFGWPYCEDYPAF-UHFFFAOYSA-N