Hexabromobenzene

• Catalog Number: ACM87821-1
• Product Name: Hexabromobenzene
• CAS: 87-82-1
• Category: Amino Alcohols
• Description: Monoclinic needles or white powder. Insoluble in water. (NTP, 1992)
• Synonyms: Benzene, hexabromo-
• 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
• InChI Key: CAYGQBVSOZLICD-UHFFFAOYSA-N
• Boiling Point: 405.75 °C
• Melting Point: >300 °C
• 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
• Color/Form: MONOCLINIC NEEDLES FROM BENZENE
• Complexity: 104
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 201-773-9
• Exact Mass: 551.5038
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 6.07 (LogP);Log Kow= 6.07
• Monoisotopic Mass: 551.5038
• NSC Number: 113975
• Physical State: Solid
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Symbol: GHS07
• Topological Polar Surface Area: 0 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: T01859XWIR
• UN Number: 3077
• XLogP3: 6.1