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76-84-6 molecular structure
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triphenylmethanol

ChemBase ID: 111505
Molecular Formular: C19H16O
Molecular Mass: 260.32974
Monoisotopic Mass: 260.12011513
SMILES and InChIs

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

Cite this record

CBID:111505 http://www.chembase.cn/molecule-111505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.736887  H Acceptors
H Donor LogD (pH = 5.5) 4.638378 
LogD (pH = 7.4) 4.638376  Log P 4.638378 
Molar Refractivity 83.3115 cm3 Polarizability 32.05915 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
dioxane: soluble0.1 g/mL, clear expand Show data source
Ethanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
147-150°C expand Show data source
160-163 °C expand Show data source
160-163 °C(lit.) expand Show data source
161-164°C expand Show data source
161-165 °C expand Show data source
Boiling Point
360 °C(lit.) expand Show data source
360-380 °C expand Show data source
360-380°C expand Show data source
Density
1.199 g/cm3 expand Show data source
Storage Condition
Refrigerator expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
38 expand Show data source
Safety Statements
22-24/25 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(C6H5)3COH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05219549 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 134848 external link
Packaging
50, 250 g in poly bottle
Toronto Research Chemicals - T808950 external link
A triaryl methane derivative as antiproliferative agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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.
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PATENTS

PATENTS

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INTERNET

INTERNET

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