Hexabromobenzene

• CAS: 87-82-1
• Catalog Number: ACM87821-1
• Category: Amino Alcohols
• Molecular Weight: 551.5
• Molecular Formula: C6Br6
• Description: Monoclinic needles or white powder. Insoluble in water. (NTP, 1992)
• Synonyms: Benzene, hexabromo-
• IUPAC Name: 1,2,3,4,5,6-Hexabromobenzene
• 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
• XLogP3-AA: 6.1

Custom Q&A

What is the molecular formula of Hexabromobenzene?

The molecular formula of Hexabromobenzene is C6Br6.

Is Hexabromobenzene soluble in water?

No, Hexabromobenzene is insoluble in water according to the reference.

What is the molecular weight of Hexabromobenzene?

The molecular weight of Hexabromobenzene is 551.5 g/mol.

When was Hexabromobenzene created and last modified?

Hexabromobenzene was created on 2005-03-26 and last modified on 2023-11-25.

What are some synonyms for Hexabromobenzene?

Some synonyms for Hexabromobenzene are HEXABROMOBENZENE, Benzene, hexabromo, Perbromobenzene, 1,2,3,4,5,6-Hexabromobenzene.

What is the InChIKey for Hexabromobenzene?

The InChIKey for Hexabromobenzene is CAYGQBVSOZLICD-UHFFFAOYSA-N.

Can Hydrogen Bond Donor Count be found in Hexabromobenzene?

No, Hexabromobenzene does not have a Hydrogen Bond Donor Count according to the reference.

How many heavy atoms are present in Hexabromobenzene?

There are 12 heavy atoms present in Hexabromobenzene.

Does Hexabromobenzene have any Isotope Atom Count?

No, there are 0 Isotope Atom Count in Hexabromobenzene.

What is the Complexity value of Hexabromobenzene?

The Complexity value of Hexabromobenzene is 104.