triphenylmethanol

• ChemBase ID: 111505
• Molecular Formular: C19H16O
• Molecular Mass: 260.32974
• Monoisotopic Mass: 260.12011513
• SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
• InChIKey: LZTRCELOJRDYMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylmethanol
• IUPAC Traditional name: triphenylmethanol
• Synonyms: TRIPHENYLCARBINOL; Trityl Alcohol; Triphenyl carbinol; Trityl alcohol; Triphenylmethanol; Triphenylcarbinol; Tritanol; Triphenylmethanol; α,α-Diphenylbenzenemethanol; BL 3756; Hydroxytriphenylmethane; NSC 4050; Triphenylmethanol; Triphenylmethyl Alcohol; U 45483; 三苯甲醇; 三苯甲醇; 羟基三苯基甲烷; 三苯基甲醇

Database IDs

• CAS Number: 76-84-6
• EC Number: 200-988-5
• MDL Number: MFCD00004445
• Beilstein Number: 1460837
• Merck Index: 149739
• PubChem SID: 24848189; 162089686; 24889781
• PubChem CID: 6457
• CHEMBL: 118166
• Chemspider ID: 6215
• Wikipedia Title: Triphenylmethanol

CALCULATED PROPERTIES

• Acid pKa: 12.736887
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.638378
• LogD (pH = 7.4): 4.638376
• Log P: 4.638378
• Molar Refractivity: 83.3115 cm^3
• Polarizability: 32.05915 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; dioxane: soluble0.1 g/mL, clear; Ethanol
• Apperance: White Solid
• Melting Point: 147-150°C; 160-163 °C; 160-163 °C(lit.); 161-164°C; 161-165 °C
• Boiling Point: 360 °C(lit.); 360-380 °C; 360-380°C
• Density: 1.199 g/cm^3

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 38
• Safety Statements: 22-24/25; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: (C6H5)3COH

DETAILS

MP Biomedicals - 05219549

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 134848

Packaging
50, 250 g in poly bottle

Toronto Research Chemicals - T808950

A triaryl methane derivative as antiproliferative agent.

REFERENCES

• Buchel, K., et al.: Arzneim.-Forsch., 22, 1260 (1972)
• Sawyer, P., et al.: Drugs, 9, 424 (1972)
• Protection of thiols, such as cysteine residues in peptide synthesis, as their S-trityl derivatives can be accomplished in high yield in TFA. Cleavage can be effected with HBr in AcOH: J. Chem. Soc. (C), 2683 (1970), with Hg(II) salts, or by oxidation to the disulfide with I₂ in MeOH: Helv. Chim. Acta, 51, 2061 (1968). See also Appendix 6.