1-N,4-N-diphenylbenzene-1,4-diamine

• ChemBase ID: 70567
• Molecular Formular: C18H16N2
• Molecular Mass: 260.33304
• Monoisotopic Mass: 260.13134852
• SMILES: c1(ccc(cc1)Nc1ccccc1)Nc1ccccc1
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1
• InChI: InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
• InChIKey: UTGQNNCQYDRXCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,4-N-diphenylbenzene-1,4-diamine; N1,N4-diphenylbenzene-1,4-diamine
• IUPAC Traditional name: DFFD
• Synonyms: N1,N4-Diphenylbenzene-1,4-diamine; N,N′-Diphenyl-1,4-phenylenediamine; N,N′-Diphenyl-p-phenylenediamine; N,N'-Diphenyl-p-phenylenediamine; N,N'-Diphenyl-1,4-phenylenediamine; N,N'-DIPHENYL-p-PHENYLENEDIAMINE; N,N′-二苯基-1,4-苯二胺; N,N′-二苯基-对苯二胺; N,N'-二苯基对苯二胺

Database IDs

• CAS Number: 74-31-7; 2315-68-6
• EC Number: 200-806-4
• MDL Number: MFCD00003015
• Beilstein Number: 2215944
• Merck Index: 143329
• PubChem SID: 162036282; 24867020; 24857574
• PubChem CID: 6319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.852739
• LogD (pH = 7.4): 4.8530927
• Log P: 4.8530974
• Molar Refractivity: 83.0304 cm^3
• Polarizability: 31.88344 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143-145 °C; 143-145 °C(lit.); 146°C; 146-153°C
• Boiling Point: 220-225 °C/0.5 mmHg(lit.); 220-225°C/1mm
• Density: 1.28

Safety Information

• Storage Warning: IRRITANT
• RTECS: ST2275000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 43-52/53; R:36/37/38
• Safety Statements: 24-37-61; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H412
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A; P273-P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (HPLC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: C6H5NHC6H4NHC6H5

DETAILS

Sigma Aldrich - 292265

Packaging
25 g in poly bottle
5 g in glass bottle