Tetrabromocatechol - ≥95% , CAS No.488-47-1

CAS: 488-47-1 Cat. No.: T344694 Formula: C₆H₂Br₄O₂ Peso molecolare: 425.69 Numero EC: 207-678-9 PubChem CID: 61127

GRADE & PURITY ≥95%

Synonyms

TETRABROMOCATECHOL | 1, 3,4,5,6-tetrabromo- | 3,4,5,6-Tetrabromo-1,2-benzenediol | UNII-N642CPH23M | EINECS 207-678-9 | 4-06-00-05624 (Beilstein Handbook Reference) | FT-0614121 | SCHEMBL985158 | MFCD00002189 | NSC 36929 | 3,4,5,6-tetrabromobenzene-1,2-di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

TETRABROMOCATECHOL | 1, 3,4,5,6-tetrabromo- | 3,4,5,6-Tetrabromo-1,2-benzenediol | UNII-N642CPH23M | EINECS 207-678-9 | 4-06-00-05624 (Beilstein Handbook Reference) | FT-0614121 | SCHEMBL985158 | MFCD00002189 | NSC 36929 | 3,4,5,6-tetrabromobenzene-1,2-di

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488183441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183441
• Sorrisi canonici: C1(=C(C(=C(C(=C1Br)Br)Br)Br)O)O
• IUPAC Name: 3,4,5,6-tetrabromobenzene-1,2-diol
• InChIKey: OAUWOBSDSJNJQP-UHFFFAOYSA-N
• INCHI: 1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
• Isomeri SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)O)O
• WGK Germania: 3
• RTECS: UX2430000
• PubChem CID: 61127
• Numero UN: 3077
• Gruppo di imballaggio: III
• Peso molecolare: 425.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: P-bromophenols O-bromophenols M-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 4-halophenol - 4-bromophenol - 3-halophenol - 2-halophenol - 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
• Descrizione: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• 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

Obiettivi associati (umani)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DLD-1 (17511 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: It is partly miscible with water.
• Punto di fusione (°C): 189-193° C (lit.)
• Peso molecolare: 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: 150.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 488-47-1, the molecular formula is C6H2Br4O2, and the molecular weight is 425.69 g/mol. InChIKey OAUWOBSDSJNJQP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.