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

CAS: 76-84-6 Cat. No.: T106629 Peso molecular: 260.33 Beilstein Registry Number: 1460837 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180070
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• WGK Alemania: 3
• PubChem CID: 6457
• Peso molecular: 260.33
• Beilstein: 1460837
• Reaxy-Rn: 1460837

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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NIH3T3 (5395 Activities)

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

L6 (7924 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in dioxane, ethanol, water, ether and benzene.
• Punto de ebullición (°C): 360°C
• Punto de fusión (°C): 160-164.2°C
• Peso molecular: 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

Referencias

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]