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| CAS No.: | 201849-16-3 |
|---|---|
| Name: | 1-Bromo-5-chloro-3-fluoro-2-iodobenzene |
| Molecular Structure: | |
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|
|
| Formula: | C6H2BrClFI |
| Molecular Weight: | 335.342 |
| Synonyms: | 1-Bromo-5-chloro-3-fluoro-2-iodobenzene; |
| Density: | 2.331 g/cm3 |
| Melting Point: | 106～107℃ |
| Boiling Point: | 272 °C at 760 mmHg |
| Flash Point: | 118.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 0.00000 |
| LogP: | 3.84620 |
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Specification
The Benzene, 1-bromo-5-chloro-3-fluoro-2-iodo-, with the CAS registry number 201849-16-3, is also known as 1-bromo-5-chloro-3-fluoro-2-iodo-benzene. This chemical's molecular formula is C6H2BrClFI and molecular weight is 335.34. What's more, its IUPAC name is 1-Bromo-5-chloro-3-fluoro-2-iodobenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 1-bromo-5-chloro-3-fluoro-2-iodo- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Vapour Pressure: 0.0104 mmHg at 25 °C; (9)Index of Refraction: 1.638; (10)Molar Refractivity: 51.73 cm3; (11)Molar Volume: 143.8 cm3; (12)Polarizability: 20.51×10-24 cm3; (13)Surface Tension: 46.8 dyne/cm; (14)Density: 2.331 g/cm3; (15)Flash Point: 118.3 °C; (16)Enthalpy of Vaporization: 48.97 kJ/mol; (17)Boiling Point: 272 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(Cl)cc(Br)c1I
(2) InChI: InChI=1/C6H2BrClFI/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
(3) InChIKey: IKJUIUCZEXVZMB-UHFFFAOYAP