Chromium(III) acetylacetonate - PrimorTrace™, ≥99.99% metals basis , CAS No.21679-31-2

CAS: 21679-31-2 Cat. No.: C432320 Peso molecular: 349.32 Número EC: 244-526-0

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

Q4119781 | SY010217 | Chromium(III) acetylacetonate | Tris(acetylacetonato)chromium | MFCD00000015 | chromium(3+);4-oxopent-2-en-2-olate

Storage

Argon charged,Room temperature

Descripción general

Chromium(III) acetylacetonate is an acidopentamminechromium (111) salt, which is a crystalline material that can be prepared by treatment of precipitated hydrous chromium(III) oxide with acetylacetone.

Application

Chromium(III) acetylacetonate may be used as an active site in the formation of redox systems for the fabrication of flow batteries. It may also be used as a precursor for chromium nitride based metallic coatings.

Specifications

Sinónimos

Q4119781 | SY010217 | Chromium(III) acetylacetonate | Tris(acetylacetonato)chromium | MFCD00000015 | chromium(3+);4-oxopent-2-en-2-olate

Especificaciones y pureza

PrimorTrace™, ≥99.99% metals basis

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Grado

PrimorTrace™

Pureza

≥99.99% metals basis

Nombres e identificadores

• Pubchem Sid: 504755971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755971
• Sonrisas canónicas: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cr+3]
• IUPAC Name: chromium(3+);4-oxopent-2-en-2-olate
• InChIKey: JWORPXLMBPOPPU-UHFFFAOYSA-K
• INCHI: 1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• Isómeros SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cr+3]
• RTECS: GB7575000
• Peso molecular: 349.32
• Reaxy-Rn: 6522317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6522317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Vinylogous acids Acryloyl compounds Ketones Enolates Organic oxides Organic chromium salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Vinylogous acid - Enone - Acryloyl-group - Ketone - Organic transition metal salt - Enolate - Organic chromium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de inflamación (°F): 392.0 °F
• Punto de inflamación (°C): > 200 °C
• Punto de ebullición (°C): 340℃
• Punto de fusión (°C): 216℃
• Peso molecular: 349.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 349.074 Da
• Monoisotopic Mass: 349.074 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 90.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 3
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 4

XLogP3

Referencias

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