Barium acetylacetonate hydrate - Ba≥32% , CAS No.12084-29-6

CAS: 12084-29-6 Cat. No.: B598690 Molecular Weight: 335.54 (anhydrous basis) EC Number: 235-151-3

GRADE & PURITY Ba≥32%

Synonyms

12084-29-6|Bis(pentane-2,4-dionato-O,O')barium|Barium acetylacetonate|AI3-60035|barium(2+);(Z)-4-oxopent-2-en-2-olate|EINECS 235-151-3|SCHEMBL161925|DTXSID701045402|NSC 77074|NSC 174287|Barium, bis(2,4-pentanedionato-O,O')-, hydrate|Q15410244

Storage

Room temperature

Specifications

Synonyms

12084-29-6 | Bis(pentane-2, 4-dionato-O, O')barium | Barium acetylacetonate | AI3-60035 | barium(2+);(Z)-4-oxopent-2-en-2-olate | EINECS 235-151-3 | SCHEMBL161925 | DTXSID701045402 | NSC 77074 | NSC 174287 | Barium, bis(2, 4-pentanedionato-O, O')-, hydrate | Q15410244

Specifications & Purity

Ba≥32%

Storage

Room temperature

Names and Identifiers

• 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

• Sensitivity: Hygroscopic
• Melt Point(°C): > 320°C