Hexabromobenzene

Product Information

Molecular Formula:
C6Br6
Molecular Weight:
551.49
Description
Hexabromobenzene (CAS# 87-82-1) is a selective protease-activated receptor 2 (PAR-2) agonist. AC 264613 can be used to investigate the physiological roles of the PAR-​2 receptors.
Synonyms
1,2,3,4,5,6-hexabromobenzene
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
417.5 °C at 760 mmHg
Melting Point
326-327 °C
Purity
95 %
Density
2.956 g/cm3
Solubility
Insoluble
Appearance
Monoclinic needles or white powder. insoluble in water.
Application
Used as a flame retardant for polymers.
Storage
APPROX 4 °C
LogP
6.26160
Vapor Pressure
0.00000002 [mmHg]

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
6.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
551.50388 g/mol
Monoisotopic Mass
545.51003 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
104
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114015161-A Graphene junction box and preparation method thereof 2021-12-20
CN-114181036-A Preparation method of deuterated bromobenzene 2021-12-17
JP-2022019868-A Polyurethane foam manufacturing method 2021-12-01
JP-2022019869-A Polyurethane foam manufacturing method 2021-12-01
JP-2022033116-A Refractory resin composition, refractory sheet and fittings 2021-11-25
CN-114058322-A Graphite alkyne dispersion liquid, bi-component polyurethane adhesive and preparation method thereof 2021-11-23
CN-113956876-A Preparation method of nitrogen and bromine co-doped graphene quantum dot material 2021-11-11
CN-113913863-A Ni2P/Ni12P5-xBrxDefect-rich nanosheet and synthesis method thereof 2021-10-31
CN-113991093-A Preparation of heteroatom in-situ doped porous carbon and application of heteroatom in high-rate sodium ion battery 2021-10-27
CN-113991094-A Heteroatom in-situ doped porous carbon composite lithium cathode and preparation method and application thereof 2021-10-27

Literatures

PMID Publication Date Title Journal
23804377 2014-12-01 Biochemical biomarkers in liver and gill tissues of freshwater fish Carassius auratus following in vivo exposure to hexabromobenzene Environmental toxicology
23880106 2013-09-15 Comparative antioxidant status in freshwater fish Carassius auratus exposed to six current-use brominated flame retardants: a combined experimental and theoretical study Aquatic toxicology (Amsterdam, Netherlands)
22797349 2012-11-01 Natural and anthropogenically-produced brominated compounds in endemic dolphins from Western South Atlantic: another risk to a vulnerable species Environmental pollution (Barking, Essex : 1987)
22766500 2012-10-15 Brominated and chlorinated flame retardants in San Francisco Bay sediments and wildlife Environment international
22849422 2012-08-21 Bromobenzene flame retardants in the Great Lakes atmosphere Environmental science & technology
22280921 2012-04-01 Measurement of flame retardants and triclosan in municipal sewage sludge and biosolids Environment international
22376139 2012-03-20 Brominated flame retardants and dechlorane plus in the marine atmosphere from Southeast Asia toward Antarctica Environmental science & technology
22243874 2012-03-01 Regional variation and possible sources of brominated contaminants in breast milk from Japan Environmental pollution (Barking, Essex : 1987)
21942402 2011-10-15 Discontinued and alternative brominated flame retardants in the atmosphere and precipitation from the great lakes basin Environmental science & technology
21855959 2011-10-01 Classic and novel brominated flame retardants (BFRs) in common sole (Solea solea L.) from main nursery zones along the French coasts The Science of the total environment
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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