2-Amino-4′-bromobenzophenone - ≥95% , CAS No.1140-17-6

CAS: 1140-17-6 Cat. No.: A138046 Peso molecular: 276.13 Número EC: 628-416-3

GRADE & PURITY ≥95%

Synonyms

2-Amino-4/'-bromobenzophenone | 2-amino-4'-bromobenzophenone | 2-Amino-4'-bromobenzophenone, 95% | A852576 | J-003048 | SY030194 | SCHEMBL141641 | Methanone,(2-aminophenyl)(4-bromophenyl)- | (2-AMINO-PHENYL)-(4-BROMO-PHENYL)METHANONE | (2-aminophenyl)-(4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Amino-4/'-bromobenzophenone | 2-amino-4'-bromobenzophenone | 2-Amino-4'-bromobenzophenone, 95% | A852576 | J-003048 | SY030194 | SCHEMBL141641 | Methanone, (2-aminophenyl)(4-bromophenyl)- | (2-AMINO-PHENYL)-(4-BROMO-PHENYL)METHANONE | (2-aminophenyl)-(4-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504763276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763276
• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N
• IUPAC Name: (2-aminophenyl)-(4-bromophenyl)methanone
• InChIKey: WIISOMGJWLLMDG-UHFFFAOYSA-N
• INCHI: 1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N
• WGK Alemania: 3
• Peso molecular: 276.13
• Reaxy-Rn: 2723655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723655&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 Bromobenzenes Aryl bromides Vinylogous amides Primary amines Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aniline or substituted anilines - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Ketone - Organobromide - 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

• Punto de fusión (°C): 111 °C
• Peso molecular: 276.130 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.995 Da
• Monoisotopic Mass: 274.995 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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