4-Bromo-2-chlorophenol - ≥97%(GC) , CAS No.3964-56-5

CAS: 3964-56-5 Cat. No.: B138789 Formule: BrC₆H₃(Cl)OH Poids moléculaire: 207.45 Numéro CE: 223-572-5

GRADE & PURITY ≥97%(GC)

Synonyms

A824669 | InChI=1/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9 | MFCD00002166 | FT-0617760 | SCHEMBL75671 | AKOS000120267 | B1819 | W-106414 | AC-26232 | EINECS 223-572-5 | STK062696 | 4-Bromo-2-chlorophenol, 99% | Q27117997 | AB00210 | AN-329/41610044 | 4-bromo

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

It is biologically inactive metabolite of profenofos, an organophosphorus pesticide.It undergoes enzyme-catalyzed copolymerization with phenols catalyzed by extracellular laccase of the fungus Rhizoctonia praticola
It was used as reagent during the synthesis of 7-arylbenzo.

Specifications

Synonymes

A824669 | InChI=1/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9 | MFCD00002166 | FT-0617760 | SCHEMBL75671 | AKOS000120267 | B1819 | W-106414 | AC-26232 | EINECS 223-572-5 | STK062696 | 4-Bromo-2-chlorophenol, 99% | Q27117997 | AB00210 | AN-329/41610044 | 4-bromo

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 488182567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182567
• Sourires canoniques: C1=CC(=C(C=C1Br)Cl)O
• IUPAC Name: 4-bromo-2-chlorophenol
• InChIKey: VIBJPUXLAKVICD-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• Isomères SMILES: C1=CC(=C(C=C1Br)Cl)O
• WGK Allemagne: 3
• Poids moléculaire: 207.45
• Reaxy-Rn: 2042867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: O-chlorophenols Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
• External Descriptors: organobromine compound - monochlorobenzenes - halophenol

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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly miscible).
• Sensibilité: air sensitive
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 234°C
• Point de fusion (°C): 49℃
• Poids moléculaire: 207.450 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 205.913 Da
• Monoisotopic Mass: 205.913 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

Références

1. Jin Liu, Cong Hu, Xiaoyan Meng, Ying Sun, Bo Zhao, Zian Lin.  (2025)  Metal covalent organic frameworks-based laccase-like nanozyme for oxidative degradation and identification of phenolic pollutants.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39823869] [10.1016/j.jhazmat.2025.137142]