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| CAS No.: | 19393-94-3 |
|---|---|
| Name: | 1,3-DIBROMO-4-IODOBENZENE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H3Br2I |
| Molecular Weight: | 361.802 |
| Synonyms: | 2,4-Dibromo-1-iodobenzene; |
| Density: | 2.514 g/cm3 |
| Melting Point: | 45-46℃ |
| Boiling Point: | 299.1 °C at 760 mmHg |
| Flash Point: | 134.7 °C |
| PSA: | 0.00000 |
| LogP: | 3.81620 |
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Specification
The Benzene, 2, 4-dibromo-1-iodo-, with the CAS registry number 19393-94-3, is also known as 2, 4-Dibromoiodobenzene. It belongs to the product categories of Bromine Compounds; Iodine Compounds. This chemical's molecular formula is C6H3Br2I and molecular weight is 361.8005. What's more, its IUPAC name is 2, 4-Dibromo-1-iodobenzene.
Physical properties about Benzene, 2, 4-dibromo-1-iodo- are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1809.18; (6)ACD/BCF (pH 7.4): 1809.18; (7)ACD/KOC (pH 5.5): 7469.68; (8)ACD/KOC (pH 7.4): 7469.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Vapour Pressure: 0.00217 mmHg at 25 °C; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 54.53 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 21.62×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 2.514 g/cm3; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 51.75 kJ/mol; (21)Boiling Point: 299.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)c(I)cc1
(2) InChI: InChI=1/C6H3Br2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
(3) InChIKey: GVWUUPHBAZERQS-UHFFFAOYAP