(2-Amino-4-chlorophenyl)(phenyl)methanone - ≥95% , CAS No.4076-50-0

CAS: 4076-50-0 Cat. No.: A589047 Peso molecular: 231.68 Número EC: 155-767-5

GRADE & PURITY ≥95%

Synonyms

4-chloro-2-aminobenzophenone | AKOS013747427 | 2-Amino-4-Chlorobenzophenone | E73939 | EN300-200452 | D44WXS9U4D | SCHEMBL1041696 | Benzophenone, 2-amino-4-chloro- | (2-Amino-4-chlorophenyl)(phenyl)methanone | Methanone, (2-amino-4-chlorophenyl)phenyl- |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-chloro-2-aminobenzophenone | AKOS013747427 | 2-Amino-4-Chlorobenzophenone | E73939 | EN300-200452 | D44WXS9U4D | SCHEMBL1041696 | Benzophenone, 2-amino-4-chloro- | (2-Amino-4-chlorophenyl)(phenyl)methanone | Methanone, (2-amino-4-chlorophenyl)phenyl- |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)N
• IUPAC Name: (2-amino-4-chlorophenyl)-phenylmethanone
• InChIKey: PELAWRHVRDOWQT-UHFFFAOYSA-N
• INCHI: 1S/C13H10ClNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)N
• Peso molecular: 231.68
• Reaxy-Rn: 2212478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212478&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 Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aniline or substituted anilines - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Ketone - Organochloride - Organohalogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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: 231.680 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.045 Da
• Monoisotopic Mass: 231.045 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• 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