Home Halogens Pentabromophenol

Pentabromophenol

CAS No.:
608-71-9
Catalog Number:
AG003TKJ
Molecular Formula:
C6HBr5O
Molecular Weight:
488.5915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$110
- +
100g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003TKJ
Chemical Name:
Pentabromophenol
CAS Number:
608-71-9
Molecular Formula:
C6HBr5O
Molecular Weight:
488.5915
MDL Number:
MFCD00002147
IUPAC Name:
2,3,4,5,6-pentabromophenol
InChI:
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChI Key:
SVHOVVJFOWGYJO-UHFFFAOYSA-N
SMILES:
Brc1c(O)c(Br)c(c(c1Br)Br)Br
EC Number:
210-167-3
UNII:
V89A88NMMX
NSC Number:
5717
RTECS Number:
SM6125000
UN Number:
2811
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.59g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
488.593g/mol
Monoisotopic Mass:
483.594g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Chemical hazards associated with treatment of waste electrical and electronic equipment. Waste management (New York, N.Y.) 20110101
Identification and quantification of products formed via photolysis of decabromodiphenyl ether. Environmental science and pollution research international 20090501
2,3,4,5,6-Penta-bromo-phenol. Acta crystallographica. Section E, Structure reports online 20081001
Electron impact and electron capture negative ionization mass spectra of polybrominated diphenyl ethers and methoxylated polybrominated diphenyl ethers. Environmental science & technology 20080401
Molecular characterization of brominated persistent pollutants using extended X-ray absorption fine structure (EXAFS) spectroscopy. Analytical and bioanalytical chemistry 20080201
Effects of brominated flame retardants and brominated dioxins on steroidogenesis in H295R human adrenocortical carcinoma cell line. Environmental toxicology and chemistry 20070401
Automated solid-phase extraction for the determination of polybrominated diphenyl ethers and polychlorinated biphenyls in serum--application on archived Norwegian samples from 1977 to 2003. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070201
Development of a solid-phase microextraction method for the analysis of phenolic flame retardants in water samples. Journal of chromatography. A 20060818
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Water solubility and partitioning behavior of brominated phenols. Environmental toxicology and chemistry 20040601
Brominated flame retardants and phenolic endocrine disrupters in Finnish human adipose tissue. Chemosphere 20031201
Ozonolysis of phenols in aqueous solution. Organic & biomolecular chemistry 20030521
Vibrational analysis of substituted phenols: part I. Vibrational spectra, normal coordinate analysis and transferability of force constants of some formyl-, methoxy-, formylmethoxy-, methyl- and halogeno-phenols. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021201
A new method for determination of halogenated flame retardants in human milk using solid-phase extraction. Journal of analytical toxicology 20020401
Determination of phenolic flame-retardants in human plasma using solid-phase extraction and gas chromatography-electron-capture mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications 20010105
Potent competitive interactions of some brominated flame retardants and related compounds with human transthyretin in vitro. Toxicological sciences : an official journal of the Society of Toxicology 20000701
Properties