Triphenylmethanol - ≥99% , CAS No.76-84-6

CAS: 76-84-6 Cat. No.: T106629 Molecular Weight: 260.33 Beilstein Registry Number: 1460837 EC Number: 200-988-5 PubChem CID: 6457

GRADE & PURITY ≥99%

Synonyms

AKOS002265728 | Triphenylmethyl alcohol | tritylalcohol | Z3018664754 | Triphenyl methanol | Zidovudine impurity D | U97Q0OU9KB | LZTRCELOJRDYMQ-UHFFFAOYSA- | MFCD00004445 | InChI=1/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-1

Storage

Room temperature

Shipped In

Normal

Overview

Triphenylmethanol forms 1:1 molecular complex with triphenylphosphine oxide. It is a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes[2]. It undergoes reduction to triphenylmethane by 9, l0-dihydro-10-methylacridine in the presence of perchloric acid 

Specifications

Synonyms

AKOS002265728 | Triphenylmethyl alcohol | tritylalcohol | Z3018664754 | Triphenyl methanol | Zidovudine impurity D | U97Q0OU9KB | LZTRCELOJRDYMQ-UHFFFAOYSA- | MFCD00004445 | InChI=1/C19H16O/c20-19(16-10-4-1-5-11-16, 17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-1

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180070
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• IUPAC Name: triphenylmethanol
• InChIKey: LZTRCELOJRDYMQ-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• WGK Germany: 3
• PubChem CID: 6457
• Molecular Weight: 260.33
• Beilstein: 1460837
• Reaxy-Rn: 1460837

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KIF11 Tchem Kinesin-like protein 1 (1720 Activities)

Discover Target: KIF11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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NIH3T3 (5395 Activities)

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L6 (7924 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in dioxane, ethanol, water, ether and benzene.
• Boil Point(°C): 360°C
• Melt Point(°C): 160-164.2°C
• Molecular Weight: 260.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 260.12 Da
• Monoisotopic Mass: 260.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yang Wang, Wei Zhao, Xinli Liu, Dongmei Cui, Eugene Y.-X. Chen.  (2012)  Ligand-Free Magnesium Catalyst System: Immortal Polymerization of l-Lactide with High Catalyst Efficiency and Structure of Active Intermediates.  MACROMOLECULES,      [PMID:] [10.1021/ma3007625]