N,N'-Diphenylbenzidine - ≥98% , CAS No.531-91-9

CAS: 531-91-9 Cat. No.: D113484 Fórmula: C₂₄H₂₀N₂ Peso molecular: 336.43 Beilstein Registry Number: 2220993 Número CE: 208-521-7

GRADE & PURITY ≥98%

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

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,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754273

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754273

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, Acetic acid, Sulfuric acid & hot THF.
• Sensibilidade: Light sensitive.
• Ponto de fusão (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 531-91-9, the molecular formula is C24H20N2, and the molecular weight is 336.43 g/mol. InChIKey FDRNXKXKFNHNCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.