2-Bromo-3,6-dichlorophenol - ≥97% , CAS No.63862-91-9

CAS: 63862-91-9 Cat. No.: B1326557 分子式: C₆H₃BrCl₂O 分子量: 241.89 EC番号: 186-749-5

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1=CC(=C(C(=C1Cl)O)Br)Cl
• IUPAC Name: 2-bromo-3,6-dichlorophenol
• InChIKey: DBAONWMSNZNTMN-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrCl2O/c7-5-3(8)1-2-4(9)6(5)10/h1-2,10H
• 分子量: 241.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: O-chlorophenols O-bromophenols M-chlorophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-bromophenol - 2-chlorophenol - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl bromide - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 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