N,N-diphenylaniline

• ChemBase ID: 90070
• Molecular Formular: C18H15N
• Molecular Mass: 245.3184
• Monoisotopic Mass: 245.12044949
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: ODHXBMXNKOYIBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diphenylaniline
• IUPAC Traditional name: triphenylamine
• Synonyms: Triphenylamine; TRIPHENYLAMINE; N,N-Diphenylaniline; Trisphenylamine; N,N,N-Triphenylamine; N,N-Diphenylbenzeneamine; 三苯胺; 三苯基胺

Database IDs

• CAS Number: 603-34-9
• EC Number: 210-035-5
• MDL Number: MFCD00003020
• Beilstein Number: 2050487
• PubChem SID: 24900507; 24889647; 162076925
• PubChem CID: 11775
• Chemspider ID: 11282
• Wikipedia Title: Triphenylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.294806
• LogD (pH = 7.4): 5.294806
• Log P: 5.294806
• Molar Refractivity: 79.2185 cm^3
• Polarizability: 30.773209 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Almost insoluble in water
• Apperance: Off-white solid
• Melting Point: 124-128 °C; 124-128 °C(lit.); 125-127°C; 125-129°C; 127 °C; 127°C
• Boiling Point: 347 - 348 °C; 347°C; 347-348 °C(lit.); 347-348°C; 365°C
• Flash Point: 180 °C o.c.
• Density: 0.774 g/cm^3
• Partition Coefficient: 5.74

Safety Information

• Storage Warning: Irritant
• RTECS: YK2680000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 36/38; R20/21/22
• Safety Statements: 26-28; 26-37; S26, S36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: Irritant (Xi)
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: (C6H5)3N

DETAILS

MP Biomedicals - 05219520

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T81604

Packaging
25, 100 g in glass bottle