N,N'-Diphenylbenzidine - ≥99.5% , CAS No.531-91-9

CAS: 531-91-9 Cat. No.: N398532 Fórmula: C₂₄H₂₀N₂ Peso molecular: 336.43 Beilstein Registry Number: 2220993 Número EC: 208-521-7

GRADE & PURITY ≥99.5%

Synonyms

SCHEMBL67901 | UNII-8IO8V406YP | AM62656 | N,N'-diphenyl-[1,1'-biphenyl]-4,4'-diamine | N,N'-diphenyl[1,1'-biphenyl]-4,4'-diamine | N,N'-Diphenylbenzidine | FT-0629581 | MFCD00003016 | N,N inverted exclamation mark -Diphenylbenzidine | N4,N4'-DIPHENYL-(1,

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

N,N′-Diphenylbenzidine is an indicator suitable for redox titrations, e.g. with dichromate or cerium(IV) sulfate 1,2. It is also used as intermediates in organic synthesis.

Specifications

Sinónimos

SCHEMBL67901 | UNII-8IO8V406YP | AM62656 | N,N'-diphenyl-[1,1'-biphenyl]-4,4'-diamine | N,N'-diphenyl[1,1'-biphenyl]-4,4'-diamine | N,N'-Diphenylbenzidine | FT-0629581 | MFCD00003016 | N,N inverted exclamation mark -Diphenylbenzidine | N4,N4'-DIPHENYL-(1,

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥99.5%

Nombres e identificadores

• Pubchem Sid: 528765688
• Sonrisas canónicas: C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4
• IUPAC Name: 4-(4-anilinophenyl)-N-phenylaniline
• InChIKey: FDRNXKXKFNHNCA-UHFFFAOYSA-N
• INCHI: 1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H
• Isómeros SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4
• WGK Alemania: 3
• Peso molecular: 336.43
• Beilstein: 2220993
• Reaxy-Rn: 2220993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220993&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: Insoluble in water, Acetic acid, Sulfuric acid & hot THF.
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 246-250°C
• Peso molecular: 336.400 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 336.163 Da
• Monoisotopic Mass: 336.163 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 343.000
• 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