4-Bromotriphenylamine - ≥99% , CAS No.36809-26-4

CAS: 36809-26-4 Cat. No.: B398514 Fórmula: C₁₈H₁₄BrN Peso molecular: 324.21 Beilstein Registry Number: 12(4)1501 Número EC: 628-532-4

GRADE & PURITY ≥99%

Synonyms

AKOS015835633 | (4-Bromophenyl)diphenylamine;4-bromotriphenylamine 4-bromo-N,N-diphenylaniline | (4-Bromophenyl)diphenylamine | (4-Bromo-phenyl)-diphenyl-amine | FT-0630018 | (p-bromophenyl)diphenylamine | 4-bromo triphenylamine | InChI=1/C18H14BrN/c19-15

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015835633 | (4-Bromophenyl)diphenylamine;4-bromotriphenylamine 4-bromo-N,N-diphenylaniline | (4-Bromophenyl)diphenylamine | (4-Bromo-phenyl)-diphenyl-amine | FT-0630018 | (p-bromophenyl)diphenylamine | 4-bromo triphenylamine | InChI=1/C18H14BrN/c19-15

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504759723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759723
• Sonrisas canónicas: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br
• IUPAC Name: 4-bromo-N,N-diphenylaniline
• InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N
• INCHI: 1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
• Isómeros SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br
• WGK Alemania: 3
• Peso molecular: 324.21
• Beilstein: 12(4)1501
• Reaxy-Rn: 2730199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2730199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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: Soluble in toluene
• Punto de ebullición (°C): 185 °C/2.5 mmHg
• Punto de fusión (°C): 108-112°C
• Peso molecular: 324.200 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 323.031 Da
• Monoisotopic Mass: 323.031 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 255.000
• 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