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CAS No.: | 81067-46-1 |
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Name: | 1-CHLORO-3,5-DIBROMO-4-IODOBENZENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H2Br2ClI |
Molecular Weight: | 396.247 |
Synonyms: | 2,6-Dibromo-4-chloroiodobenzene; |
Density: | 2.543 g/cm3 |
Melting Point: | 109.6-110.2 °C(Solv: benzene (71-43-2); ethanol (64-17-5)) |
Boiling Point: | 327.04 °C at 760 mmHg |
Flash Point: | 151.588 °C |
PSA: | 0.00000 |
LogP: | 4.46960 |
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The Benzene,1,3-dibromo-5-chloro-2-iodo-, with the CAS registry number 81067-46-1, is also known as 1-Chloro-3,5-dibromo-4-iodobenzene. It belongs to the product categories of Bromine Compounds; Chlorine Compounds; Iodine Compounds. This chemical's molecular formula is C6H2Br2ClI and molecular weight is 396.25. What's more, its systematic name is called 1,3-Dibromo-5-chloro-2-iodo-benzene.
Physical properties about Benzene,1,3-dibromo-5-chloro-2-iodo- are: (1) ACD/LogP: 5.70; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.695; (4) ACD/LogD (pH 7.4): 5.695; (5) ACD/BCF (pH 5.5): 12540.896; (6) ACD/BCF (pH 7.4): 12540.896; (7) ACD/KOC (pH 5.5): 29865.654; (8) ACD/KOC (pH 7.4): 29865.654; (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: 1.688; (14) Molar Refractivity: 59.435 cm3; (15) Molar Volume: 155.826 cm3; (16) Surface Tension: 52.646 dyne/cm; (17) Density: 2.543 g/cm3; (18) Flash Point: 151.588 °C; (19) Enthalpy of Vaporization: 54.669 kJ/mol; (20) Boiling Point: 327.04 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c(c1Br)I)Br)Cl
(2) InChI: InChI=1/C6H2Br2ClI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
(3) InChIKey: WFVPWFNVEFAMRM-UHFFFAOYAP