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| CAS No.: | 450412-28-9 |
|---|---|
| Name: | 1-BROMO-3-CHLORO-2-IODOBENZENE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C6H3BrClI |
| Molecular Weight: | 317.351 |
| Synonyms: | 1-Bromo-3-chloro-2-iodobenzene; |
| Density: | 2.272 g/cm3 |
| Melting Point: | 75-76 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 285.9 °C at 760 mmHg |
| Flash Point: | 126.7 °C |
| PSA: | 0.00000 |
| LogP: | 3.70710 |
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Specification
The Benzene, 1-bromo-3-chloro-2-iodo-, with the CAS registry number 450412-28-9, is also known as 2-Bromo-6-chloroiodobenzene. This chemical's molecular formula is C6H3BrClI and molecular weight is 317.3495. What's more, its systematic name is 1-Bromo-3-chloro-2-iodobenzene.
Physical properties about Benzene, 1-bromo-3-chloro-2-iodo- are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2354.68; (6)ACD/BCF (pH 7.4): 2354.68; (7)ACD/KOC (pH 5.5): 9020.39; (8)ACD/KOC (pH 7.4): 9020.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 51.74 cm3; (15)Molar Volume: 139.6 cm3; (16)Polarizability: 20.51×10-24 cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 2.272 g/cm3; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 50.39 kJ/mol; (21)Boiling Point: 285.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00471 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(Br)c1I
(2) InChI: InChI=1/C6H3BrClI/c7-4-2-1-3-5(8)6(4)9/h1-3H
(3) InChIKey: GIMVCZMZRZGDTL-UHFFFAOYAB