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
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.
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 |
