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

CAS: 2641-89-6 Cat. No.: T162834 Formule: C₆H₂Br₄O₂ Poids moléculaire: 425.7 Beilstein Registry Number: 6(3)854 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488185172

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185172

Sourires canoniques

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

Isomères SMILES

C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O

WGK Allemagne

3

PubChem CID

75840

Poids moléculaire

425.7

Beilstein

6(3)854

Reaxy-Rn

2051546

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point de fusion (°C): 244℃
• Poids moléculaire: 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