Tebrofen - ≥95% , CAS No.27951-69-5

CAS: 27951-69-5 Cat. No.: T1064700 Summenformel: C₁₂H₆Br₄O₄ Molekulargewicht: 533.82 PubChem CID: 161587

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=C(C(=C(C(=C1Br)O)Br)O)C2=CC(=C(C(=C2O)Br)O)Br
• IUPAC Name: 2,4-dibromo-6-(3,5-dibromo-2,4-dihydroxyphenyl)benzene-1,3-diol
• InChIKey: OCOSYMCDPNAWPA-UHFFFAOYSA-N
• INCHI: 1S/C12H6Br4O4/c13-5-1-3(9(17)7(15)11(5)19)4-2-6(14)12(20)8(16)10(4)18/h1-2,17-20H
• Isomere SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)C2=CC(=C(C(=C2O)Br)O)Br
• PubChem CID: 161587
• Molekulargewicht: 533.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenols
• Alternative Parents: Polybrominated biphenyls Resorcinols P-bromophenols O-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenol - Polybrominated biphenyl - Brominated biphenyl - Biphenyl - Resorcinol - 4-halophenol - 2-halophenol - 2-bromophenol - 4-bromophenol - Halobenzene - Bromobenzene - Phenol - Aryl halide - Aryl bromide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 533.790 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 533.696 Da
• Monoisotopic Mass: 529.7 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 315.000
• 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

Häufig gestellte Fragen

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.

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

The CAS Number is 27951-69-5, the molecular formula is C12H6Br4O4, and the molecular weight is 533.82 g/mol. InChIKey OCOSYMCDPNAWPA-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.