5-Bromo-2′-chloro-2-hydroxybenzophenone - ≥97% , CAS No.332104-54-8

CAS: 332104-54-8 Cat. No.: B169633 Peso molecular: 311.56 Número EC: 624-814-6

GRADE & PURITY ≥97%

Synonyms

5-Bromo-2'-chloro-2-hydroxybenzophenone, 97% | (5-bromo-2-hydroxyphenyl)-(2-chlorophenyl)methanone | (5-Bromo-2-hydroxyphenyl)(2-chlorophenyl)methanone | 5-Bromo-2'-chloro-2-hydroxybenzophenone | MFCD02682999 | J-019088 | PS-11135 | DTXSID00351029 | 5-Bro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Bromo-2'-chloro-2-hydroxybenzophenone, 97% | (5-bromo-2-hydroxyphenyl)-(2-chlorophenyl)methanone | (5-Bromo-2-hydroxyphenyl)(2-chlorophenyl)methanone | 5-Bromo-2'-chloro-2-hydroxybenzophenone | MFCD02682999 | J-019088 | PS-11135 | DTXSID00351029 | 5-Bro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)O)Cl
• IUPAC Name: (5-bromo-2-hydroxyphenyl)-(2-chlorophenyl)methanone
• InChIKey: JTYCQJZUXZTAEK-UHFFFAOYSA-N
• INCHI: 1S/C13H8BrClO2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,16H
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)O)Cl
• WGK Alemania: 3
• Peso molecular: 311.56
• Reaxy-Rn: 21283995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21283995&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones P-bromophenols Benzoyl derivatives Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Aryl bromides Vinylogous halides Vinylogous acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous acid - Vinylogous halide - Ketone - Organobromide - Organochloride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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: 311.560 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 309.94 Da
• Monoisotopic Mass: 309.94 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 285.000
• 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