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

CAS: 531-91-9 Cat. No.: N398532 Formule: C₂₄H₂₀N₂ Poids moléculaire: 336.43 Beilstein Registry Number: 2220993 Numéro CE: 208-521-7

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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,

Spécifications et pureté

≥99.5%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥99.5%

Noms et identifiants

Pubchem Sid

528765688

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765688

Sourires canoniques

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

Isomères SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, Acetic acid, Sulfuric acid & hot THF.
• Sensibilité: Light sensitive.
• Point de fusion (°C): 246-250°C
• Poids moléculaire: 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