N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline

• ChemBase ID: 108075
• Molecular Formular: C18H15N3
• Molecular Mass: 273.3318
• Monoisotopic Mass: 273.1265975
• SMILES: N(c1ccccc1)c1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1
• InChI: InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
• InChIKey: VXLFYNFOITWQPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline; N-phenyl-4-(2-phenyldiazen-1-yl)aniline
• IUPAC Traditional name: N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline; N-phenyl-4-(2-phenyldiazen-1-yl)aniline
• Synonyms: 4-Phenylazodiphenylamine; 4-(Phenylazo)diphenylamine; 4-Anilinoazobenzene; N-Phenyl-4-phenylazoaniline; 4-BENZENEAZODIPHENYLAMINE; N-Phenyl-4-phenylazoaniline; 4-(Phenylazo)diphenylamine; 4-苯基偶氮二苯胺

Database IDs

• CAS Number: 101-75-7
• EC Number: 202-972-3
• MDL Number: MFCD00003023
• Beilstein Number: 749359
• PubChem SID: 24853732; 24887264; 162095068
• PubChem CID: 7575

CALCULATED PROPERTIES

• Acid pKa: 19.782839
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.819042
• LogD (pH = 7.4): 5.819065
• Log P: 5.819065
• Molar Refractivity: 88.8632 cm^3
• Polarizability: 32.345295 Å^3
• Polar Surface Area: 36.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 80-86°C; 87-91 °C; 89-91 °C(lit.)
• Absorption Wavelength: λmax 411 nm

Safety Information

• RTECS: JK0185000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 97%
• Grade: purum
• Linear Formula: C6H5N=NC6H4NHC6H5
• Empirical Formula (Hill Notation): C18H15N3

DETAILS

MP Biomedicals - 05205990

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 78164

Other Notes
Indicator employed in the assay of Grignard and organolithium reagents1

Sigma Aldrich - 229164

Packaging
5, 25 g in glass bottle