Aluminum phenoxide - ≥99.9% metals basis , CAS No.15086-27-8

CAS: 15086-27-8 Cat. No.: A475074 Formula: (C₆H₅O)₃Al Peso molecolare: 306.29 Numero EC: 239-137-8

GRADE & PURITY ≥99.9% metals basis

Synonyms

aluminium phenoxide | EINECS 239-137-8 | OPSWAWSNPREEFQ-UHFFFAOYSA-K | Aluminium triphenolate | Phenol, aluminum salt (3:1) | aluminum phenolate | ALUMINUMPHENOXIDE | aluminum triphenoxide | aluminum;triphenoxide | DTXSID401015343 | Phenol, aluminum salt

Storage

Room temperature

Specifications

Sinonimi

aluminium phenoxide | EINECS 239-137-8 | OPSWAWSNPREEFQ-UHFFFAOYSA-K | Aluminium triphenolate | Phenol, aluminum salt (3:1) | aluminum phenolate | ALUMINUMPHENOXIDE | aluminum triphenoxide | aluminum;triphenoxide | DTXSID401015343 | Phenol, aluminum salt

Specifiche e purezza

≥99.9% metals basis

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99.9% metals basis

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Al+3]
• IUPAC Name: aluminum;triphenoxide
• InChIKey: OPSWAWSNPREEFQ-UHFFFAOYSA-K
• INCHI: 1S/3C6H6O.Al/c3*7-6-4-2-1-3-5-6;/h3*1-5,7H;/q;;;+3/p-3
• Isomeri SMILES: C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Al+3]
• Numero UN: 3261
• Peso molecolare: 306.29
• Reaxy-Rn: 3707955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3707955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Organooxygen compounds Organic oxides Organic aluminium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Phenoxide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic aluminium salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Punto di fusione (°C): 156℃ (dec.) (lit.)
• Peso molecolare: 306.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 306.084 Da
• Monoisotopic Mass: 306.084 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 46.100
• 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: 4

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