(diphenylmethyl)benzene

• ChemBase ID: 73326
• Molecular Formular: C19H16
• Molecular Mass: 244.33034
• Monoisotopic Mass: 244.12520051
• SMILES: c1c(cccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
• InChIKey: AAAQKTZKLRYKHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylmethyl)benzene
• IUPAC Traditional name: triphenylmethane
• Synonyms: 1,1',1''-Methanetriyltribenzene; Triphenylmethane; Triphenylmethane; 1,1',1"-Methylidynetrisbenzene; Tritan; 三苯甲烷

Database IDs

• CAS Number: 519-73-3
• EC Number: 208-275-0
• MDL Number: MFCD00004763
• Beilstein Number: 1909753
• Merck Index: 149741
• PubChem SID: 24889780; 24846537; 162038246
• PubChem CID: 10614
• Chemspider ID: 10169
• Wikipedia Title: Triphenylmethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4858627
• LogD (pH = 7.4): 5.4858627
• Log P: 5.4858627
• Molar Refractivity: 80.4388 cm^3
• Polarizability: 31.4522 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: dioxane: soluble0.1 g/mL, clear; insoluble in water
• Melting Point: 91-94°C; 92°C; 92-94 °C; 92-94 °C(lit.); 92-94°C; 92-94°C
• Boiling Point: 358-354°C @ 754 nm Hg; 358-359 °C/754 mmHg(lit.); 358-359°C/754mm; 358-359°C; 359 °C
• Density: 1.010; 1.014; 1.014 g/cm^3; 1.014 g/ml; 1.014 g/mL at 25 °C(lit.)
• pKa: 33

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Irritant
• German water hazard class: 3
• Risk Statements: R36 R37 R38
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (HPLC); 90%; 98%; 99%
• Grade: purum
• Linear Formula: (C6H5)3CH

DETAILS

MP Biomedicals - 02157114

Purity: 90%

MP Biomedicals - 05219570

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 101303

Packaging
25, 100, 500 g in poly bottle