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Tetrabromohydroquinone - >97.0%(GC), high purity , CAS No.2641-89-6
Basic Description
Synonyms
1,2,4,5-Tetrabromo-3,6-dihydroxybenzene | 1,4-Benzenediol,2,3,5,6-tetrabromo- | FT-0634422 | Tetrabromohydroquinone, 98% | SCHEMBL48572 | DTXSID50870992 | Q1402834 | NSC508878 | NSC-508878 | 1,4-Benzenediol, 2,3,5,6-tetrabromo- | EINECS 220-142-9 | AKOS00
Specifications & Purity
≥97%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1,4-dihydroxy-2-halobenzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dihydroxy-2-halobenzenoids
Alternative Parents
O-bromophenols M-bromophenols Hydroquinones Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1,4-dihydroxy-2-halobenzenoid - 3-halophenol - 2-halophenol - Hydroquinone - 3-bromophenol - 2-bromophenol - Bromobenzene - Halobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488185172
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185172
IUPAC Name
2,3,5,6-tetrabromobenzene-1,4-diol
INCHI
InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKey
DTFQULSULHRJOA-UHFFFAOYSA-N
Smiles
C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O
Isomeric SMILES
C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O
WGK Germany
3
PubChem CID
75840
Molecular Weight
425.7
Beilstein
6(3)854
Reaxy-Rn
2051546
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive
Melt Point(°C)
244℃
Molecular Weight
425.690 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
425.675 Da
Monoisotopic Mass
421.679 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
134.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
L2410720