2，4，6-Tribromobenzene-1，3，5-triol - ≥95% , CAS No.3354-82-3

CAS: 3354-82-3 Cat. No.: T694564 Peso molecular: 362.8 PubChem CID: 76885

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1(=C(C(=C(C(=C1Br)O)Br)O)Br)O
• IUPAC Name: 2,4,6-tribromobenzene-1,3,5-triol
• InChIKey: FVXWNUUQRAHIRN-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h10-12H
• Isómeros SMILES: C1(=C(C(=C(C(=C1Br)O)Br)O)Br)O
• CAS alternativo: 3354-82-3
• PubChem CID: 76885
• Número NSC: 99830
• Peso molecular: 362.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phloroglucinols and derivatives
• Alternative Parents: P-bromophenols O-bromophenols Bromobenzenes Aryl bromides Polyols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phloroglucinol derivative - 4-halophenol - 2-halophenol - 2-bromophenol - 4-bromophenol - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Polyol - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phloroglucinols and derivatives. These are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5.
• 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

Propiedades químicas y físicas

• Peso molecular: 362.800 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 361.761 Da
• Monoisotopic Mass: 359.763 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 122.000
• 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