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CAS No.: | 89284-52-6 |
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Name: | 1,4-DIBROMO-2-IODOBENZENE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H3Br2I |
Molecular Weight: | 361.802 |
Synonyms: | 2,5-Dibromoiodobenzene; |
Density: | 2.514 g/cm3 |
Melting Point: | 41 °C |
Boiling Point: | 303.6 °C at 760 mmHg |
Flash Point: | 137.4 °C |
PSA: | 0.00000 |
LogP: | 3.81620 |
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The Benzene,1,4-dibromo-2-iodo-, with the CAS registry number 89284-52-6, is also known as 2,5-Dibromoiodobenzene. It belongs to the product categories of Bromine Compounds and Iodine Compounds. This chemical's molecular formula is C6H3Br2I and molecular weight is 361.8. What's more, its systematic name is 1,4-Dibromo-2-iodobenzene.
Physical properties about Benzene,1,4-dibromo-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): 2356.21; (6)ACD/BCF (pH 7.4): 2356.21; (7)ACD/KOC (pH 5.5): 9024.57; (8)ACD/KOC (pH 7.4): 9024.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 54.53 cm3; (14)Molar Volume: 143.8 cm3; (15)Polarizability: 21.62 ×10-24 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 2.514 g/cm3; (18)Flash Point: 137.4 °C; (19)Enthalpy of Vaporization: 52.21 kJ/mol; (20)Boiling Point: 303.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00166 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(Br)c(I)c1
(2) InChI: InChI=1/C6H3Br2I/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3) InChIKey: VLRYPRKTXDPVNN-UHFFFAOYAR