Barium acetylacetonate hydrate - ≥98% , CAS No.12084-29-6

CAS: 12084-29-6 Cat. No.: B283467 Molecular Weight: 335.54 (anhydrous basis) EC Number: 235-151-3

GRADE & PURITY ≥98%

Synonyms

DTXSID701045402 | SCHEMBL161925 | NSC 77074 | Bis(pentane-2,4-dionato-O,O')barium | EINECS 235-151-3 | Barium acetylacetonate | NSC 174287 | Q15410244 | AI3-60035 | barium(2+);(Z)-4-oxopent-2-en-2-olate | Barium, bis(2,4-pentanedionato-O,O')-, hydrate

Storage

Room temperature

Specifications

Synonyms

DTXSID701045402 | SCHEMBL161925 | NSC 77074 | Bis(pentane-2, 4-dionato-O, O')barium | EINECS 235-151-3 | Barium acetylacetonate | NSC 174287 | Q15410244 | AI3-60035 | barium(2+);(Z)-4-oxopent-2-en-2-olate | Barium, bis(2, 4-pentanedionato-O, O')-, hydrate

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195577
• Canonical Smiles: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ba+2]
• IUPAC Name: barium(2+);(Z)-4-oxopent-2-en-2-olate
• InChIKey: DJHZYHWLGNJISM-FDGPNNRMSA-L
• INCHI: 1S/2C5H8O2.Ba/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-
• Isomeric SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ba+2]
• Alternate CAS: 304695-31-6
• Molecular Weight: 335.54 (anhydrous basis)
• Reaxy-Rn: 6096818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6096818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class 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
• Class: 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 salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Vinylogous acid - Enone - Acryloyl-group - Ketone - Enolate - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): > 320°C