Barium AcetylacetonateCAS #: 12084-29-6

Synonyms

Barium 2,4-pentanedionate, Barium bis[(2Z)-4-oxopent-2-en-2-olate], Ba(acac)2, 3-penten-2-one, 4-hydroxy-, barium salt, (3Z)- (2:1), Bis(pentane-2,4-dionato-O, O')barium

2,4-Pentanedione,ion(1-), barium (9CI);
Barium, bis(2,4-pentanedionato)- (6CI,7CI,8CI);
2,4-Pentanedione barium salt;
Acetylacetone barium salt;
Bariumacetylacetonate;
Barium bis(acetylacetonate);
Bis(2,4-pentanedionato)barium;
Bisacetylacetonatobarium;
NSC 174287;
NSC 77074;
Nacem Barium

Compound Formula: C10H14BaO4 

Molecular Weight: 335.53 

Appearance: White to off-white powder 

Melting Point: > 320 °C 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 335.994456 

Monoisotopic Mass: 335.994456

Health & Safety Information

Signal Word: Warning 

Hazard Statements: H302-H332 

Hazard Codes: Xi 

Precautionary Statements: N/A 

Risk Codes: N/A 

Safety Statements: N/A 

Transport Information: NONH for all modes of transport 

WGK Germany: 1 

GHS Pictogram: Image

Production method and other information

Hazardous properties of barium acetylacetonate hydrate (12084-29-6):

This product is usually slightly harmful to water bodies. Do not allow undiluted or large amounts of the product to come into contact with groundwater, waterways or sewage systems. Do not discharge the material into the surrounding environment without government permission. 

Calculation of chemical data:

1. Number of hydrogen bond donors: 0

2. Number of hydrogen bond acceptors: 4

3. Number of rotatable chemical bonds: 2

4. Number of isomers: 15

5. Topological Molecular Polar Surface Area (TPSA): 80.3

6. Number of heavy atoms: 15 

Storage conditions:

Stable at normal temperature and pressure.

 Materials to be avoided: oxides, 

moisture/humidity. 

Store in a sealed container under normal temperature, in a dark place, in a well-ventilated and dry area.

Chemical Identifiers Linear 

Formula: Ba(CH3COCHCOCH3)2 

Pubchem CID: 5486157 

MDL Number: MFCD00150161 

EC No.: 235-151-3 

IUPAC Name: barium(2+); (Z)-4-oxopent-2-en-2-olate 

SMILES: [Ba+2].O=C(/C=C(\[O-])C)C.[O-]\C(=C/C(=O)C)C 

InchI Identifier: InChI=1S/2C5H8O2.Ba/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;

InchI Key: HYRVTHFPMWHAEG-SUKNRPLKSA-L 

Packing of Standard Packing: 

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 454 gallon liquid totes Special package is available on request.