N-phenyl-4-[4-(phenylamino)phenyl]aniline

• ChemBase ID: 75286
• Molecular Formular: C24H20N2
• Molecular Mass: 336.429
• Monoisotopic Mass: 336.16264865
• SMILES: N(c1ccc(cc1)c1ccc(cc1)Nc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cc1)c1ccc(cc1)Nc1ccccc1
• InChI: 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
• InChIKey: FDRNXKXKFNHNCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-4-[4-(phenylamino)phenyl]aniline
• IUPAC Traditional name: N-phenyl-4-[4-(phenylamino)phenyl]aniline
• Synonyms: N,N'-Diphenylbenzidine; 4,4'-Bis(phenylamino)biphenyl; N,N′-Diphenylbenzidine; N,N'-DIPHENYLBENZIDINE; N4,N4'-Diphenyl-[1,1'-biphenyl]-4,4'-diamine; 4,4'-Bis(anilino)biphenyl; N,N'-Diphenylbenzidine; N,N′-二苯基联苯二胺; N,N'-二苯基对联苯胺

Database IDs

• CAS Number: 531-91-9
• EC Number: 208-521-7
• MDL Number: MFCD00003016
• Beilstein Number: 2220993
• Merck Index: 143319
• PubChem SID: 162040204; 24893610
• PubChem CID: 68280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.500309
• LogD (pH = 7.4): 6.5003223
• Log P: 6.500323
• Molar Refractivity: 108.1666 cm^3
• Polarizability: 42.9643 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 246-248 °C(lit.); 246-250°C; 247°C

Safety Information

• Storage Warning: Irritant; Light Sensitive
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: R:22
• Safety Statements: S:36/37/39
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: 4-(C6H5NH)C6H4C6H4-4-(NHC6H5)

DETAILS

MP Biomedicals - 05204407

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D205206

Packaging
10 g in glass bottle

REFERENCES

• Redox indicator.