2-Bromo-4,6-dichlorophenol - ≥97% , CAS No.4524-77-0

CAS: 4524-77-0 Cat. No.: B693710 Summenformel: C₆H₃BrCl₂O Molekulargewicht: 241.91 EG-Nummer: 224-855-6 PubChem CID: 20617

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528757102
• Kanonisches Lächeln: C1=C(C=C(C(=C1Cl)O)Br)Cl
• IUPAC Name: 2-bromo-4,6-dichlorophenol
• InChIKey: FRPHJINKMDMSPH-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrCl2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
• Isomere SMILES: C1=C(C=C(C(=C1Cl)O)Br)Cl
• PubChem CID: 20617
• Molekulargewicht: 241.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-chlorophenols O-chlorophenols O-bromophenols Bromobenzenes Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 4-chlorophenol - 2-bromophenol - 2-chlorophenol - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Aryl chloride - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: 241.890 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 239.874 Da
• Monoisotopic Mass: 239.874 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• 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