Tetrabromohydroquinone - ≥97%(GC) , CAS No.2641-89-6

CAS: 2641-89-6 Cat. No.: T162834 Molecular Weight: 425.7 Beilstein Registry Number: 6(3)854 EC Number: 220-142-9 PubChem CID: 75840

GRADE & PURITY ≥97%(GC)

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

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

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

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488185172
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185172
• Canonical Smiles: C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O
• IUPAC Name: 2,3,5,6-tetrabromobenzene-1,4-diol
• InChIKey: DTFQULSULHRJOA-UHFFFAOYSA-N
• INCHI: 1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
• 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1,4-dihydroxy-2-halobenzenoids

• 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.

DOI: 10.1186/s13321-016-0174-y

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

References

1. Shunda Yang, Chensheng Lin, Kaichuang Chen, Huixin Fan, Jindong Chen, Shenghao Fang, Ning Ye, Min Luo.  (2022)  Trade-Off for Better Balanced Nonlinear Optical Performance with Disordered Si in ZnGeP2.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c03042]