5-Bromo-2,4-dichlorophenol - ≥95% , CAS No.183803-12-5

CAS: 183803-12-5 Cat. No.: B191716 Fórmula: C₆H₃BrCl₂O Peso molecular: 241.9

GRADE & PURITY ≥95%

Synonyms

AKOS015890241 | 5-bromo-2,4-dichlorophenol | MFCD16038723 | DTXSID50599030 | SCHEMBL8070919 | C73539 | DS-5306 | Phenol, 5-bromo-2,4-dichloro- | FT-0751705

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015890241 | 5-bromo-2,4-dichlorophenol | MFCD16038723 | DTXSID50599030 | SCHEMBL8070919 | C73539 | DS-5306 | Phenol, 5-bromo-2,4-dichloro- | FT-0751705

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504768843
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768843
• Sonrisas canónicas: C1=C(C(=CC(=C1Br)Cl)Cl)O
• IUPAC Name: 5-bromo-2,4-dichlorophenol
• InChIKey: LZEBXZCABIQUQF-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrCl2O/c7-3-1-6(10)5(9)2-4(3)8/h1-2,10H
• Isómeros SMILES: C1=C(C(=CC(=C1Br)Cl)Cl)O
• Peso molecular: 241.9
• Reaxy-Rn: 13832338
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13832338&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Peso molecular: 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 183803-12-5, the molecular formula is C6H3BrCl2O, and the molecular weight is 241.9 g/mol. InChIKey LZEBXZCABIQUQF-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.