diphenylmethanimine

• ChemBase ID: 88794
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: N=C(c1ccccc1)c1ccccc1
• Canonical SMILES: N=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
• InChIKey: SXZIXHOMFPUIRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylmethanimine
• IUPAC Traditional name: benzenemethanimine, α-phenyl-
• Synonyms: 1,1-Diphenylmethylimine; Benzophenone imine; Benzhydrylimine; Benzophenone imine; Benzophenone Imine; Benzophenoneimine; 苯甲酮亚胺

Database IDs

• CAS Number: 1013-88-3
• MDL Number: MFCD00001760
• Beilstein Number: 1100371
• PubChem SID: 162075700; 24847784; 24857673
• PubChem CID: 136809

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.06251387
• LogD (pH = 7.4): 0.8871091
• Log P: 3.4452603
• Molar Refractivity: 69.1055 cm^3
• Polarizability: 22.551716 Å^3
• Polar Surface Area: 23.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 151-153 °C/10 mmHg(lit.); 151-153°C/10mm
• Flash Point: 109 °C; 228.2 °F
• Density: 1.08; 1.08 g/mL at 25 °C(lit.)
• Refractive Index: 1.6180; n20/D 1.618; n20/D 1.618(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95%; 95+%
• Grade: purum
• Linear Formula: (C6H5)2C=NH

DETAILS

Sigma Aldrich - 293733

Application
Useful in the preparation of nitrile ylide dimers.1
Packaging
5, 25 g in glass bottle