2,4,6-Tribromoiodobenzene supplier

Name
2,4,6-TRIBROMOIODOBENZENE
EINECS
CAS No. 21521-51-7
Article Data7
CAS DataBase
Density 2.753 g/cm³
Solubility
Melting Point 103-104℃
Formula C₆H₂Br₃I
Boiling Point 344.475 °C at 760 mmHg
Molecular Weight 440.698
Flash Point 162.133 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,5-Tribromo-2-iodobenzene;1,3,5-Tribromo-4-iodobenzene;1-Iodo-2,4,6-tribromobenzene;NSC 159038;
PSA 0.00000
LogP 4.57870

2,4,6-Tribromoiodobenzene Specification

The 2,4,6-Tribromoiodobenzene, with the CAS registry number 21521-51-7, is also known as 1-Iodo-2,4,6-tribromobenzene. This chemical's molecular formula is C₆H₂Br₃I and molecular weight is 440.70. What's more, its systematic name is 1,3,5-Tribromo-2-iodobenzene.

Physical properties of 2,4,6-Tribromoiodobenzene are: (1)ACD/LogP: 5.661; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.66; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11816.55; (6)ACD/BCF (pH 7.4): 11816.55; (7)ACD/KOC (pH 5.5): 28620.51; (8)ACD/KOC (pH 7.4): 28620.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.705; (13)Molar Refractivity: 62.23 cm³; (14)Molar Volume: 160.06 cm³; (15)Polarizability: 24.67×10^-24cm³; (16)Surface Tension: 54.24 dyne/cm; (17)Density: 2.753 g/cm³; (18)Flash Point: 162.133 °C; (19)Enthalpy of Vaporization: 56.517 kJ/mol; (20)Boiling Point: 344.475 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by C₁₀H₁₂Br₃N₃ at the temperature of 60 °C. This reaction will need reagents aq. HI, HBF4 and solvent acetonitrile with the reaction time of 24 hours. The yield is about 84%.

2,4,6-Tribromoiodobenzene can be prepared by C10H12Br3N3 at the temperature of 60 °C

Uses of 2,4,6-Tribromoiodobenzene: it can be used to produce 1-bromo-3,5-diphenyl-benzene by heating. It will need solvent tetrahydrofuran with the reaction time of 1.5 hours. The yield is about 80%.

2,4,6-Tribromoiodobenzene can be used to produce 1-bromo-3,5-diphenyl-benzene by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(Br)c1I
(2)Std. InChI: InChI=1S/C6H2Br3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
(3)Std. InChIKey: BEUHDGOCAVMIQO-UHFFFAOYSA-N

Product Name

2,4,6-TRIBROMOIODOBENZENE

2,4,6-Tribromoiodobenzene Specification

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