| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM87821-1 |
| Product Name | Hexabromobenzene |
| CAS | 87-82-1 |
| Structure |  |
| Synonyms | Benzene, hexabromo- |
| Description | Monoclinic needles or white powder. Insoluble in water. (NTP, 1992) |
| IUPAC Name | 1,2,3,4,5,6-Hexabromobenzene |
| Molecular Weight | 551.5 |
| Molecular Formula | C6Br6 |
| Canonical SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br |
| InChI | InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | CAYGQBVSOZLICD-UHFFFAOYSA-N |
| Boiling Point | 405.75 °C |
| Melting Point | >300 °C |
| Purity | 98% |
| Density | 2.956 g/cm3 |
| Solubility | Insoluble (NTP, 1992);2.90e-10 M;SOL IN ACETIC ACID; SLIGHTLY SOL IN ALC, ETHER;> 10% in benzene;> 10% in chloroform;> 10% in petroleum ether;In water = 0.16X10-3 mg/l at 25 °C |
| Complexity | 104 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 551.5038 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 551.5038 |
| Physical State | Solid |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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