4-bromo-3-clorofenol - ≥98% , CAS No.13631-21-5

CAS: 13631-21-5 Cat. No.: B123471 Peso molecular: 207.46 Beilstein Registry Number: 3236445 Número EC: 603-955-7

GRADE & PURITY ≥98%

Synonyms

CL8500 | DTXSID70426955 | PS-8060 | FT-0617815 | BCP05734 | FQEYHIPPYOSPLF-UHFFFAOYSA-N | EN300-115223 | AM734 | 4-bromanyl-3-chloranyl-phenol | 3-chloro-4-bromophenol | AKOS015835305 | 4-Bromo-3-chlorophenol, AldrichCPR | BBL102205 | B5816 | A807060 | AC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CL8500 | DTXSID70426955 | PS-8060 | FT-0617815 | BCP05734 | FQEYHIPPYOSPLF-UHFFFAOYSA-N | EN300-115223 | AM734 | 4-bromanyl-3-chloranyl-phenol | 3-chloro-4-bromophenol | AKOS015835305 | 4-Bromo-3-chlorophenol, AldrichCPR | BBL102205 | B5816 | A807060 | AC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196077
• Sonrisas canónicas: C1=CC(=C(C=C1O)Cl)Br
• IUPAC Name: 4-bromo-3-chlorophenol
• InChIKey: FQEYHIPPYOSPLF-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1O)Cl)Br
• Peso molecular: 207.46
• Beilstein: 3236445
• Reaxy-Rn: 3236445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236445&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: M-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 - 3-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
• Descripción: 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: 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

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 64-68°C
• Peso molecular: 207.450 g/mol
• XLogP3: 3.400
• 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