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| CAS No.: | 17594-47-7 |
|---|---|
| Name: | Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C22H38BaO4.H2O |
| Molecular Weight: | 2015.49 |
| Synonyms: | Barium-thd;Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer; |
| Melting Point: | 175-180 °C(lit.) |
| Boiling Point: | 225°C 0,05mm |
| Flash Point: | 225°C 0,05mm |
| Hazard Symbols: |
 
|
| Risk Codes: | 20/22-36/37/38-23/24/25 |
| Safety: | 28-45-36/37-26 |
| Transport Information: | UN1564 |
| PSA: | 52.60000 |
| LogP: | 6.02500 |
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Specification
The Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate with its cas register number is 17594-47-7. It also can be called as Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer and the Systematic name about this chemical is barium bis[(3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate] hydrate.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed, it is harmful by inhalation and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves, after contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]\C(=C/C(=O)C(C)(C)C)C(C)(C)C.[O-]\C(=C/C(=O)C(C)(C)C)C(C)(C)C.O
(2)InChI: InChI=1/2C11H20O2.Ba.H2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7,12H,1-6H3;;1H2/q;;+2;/p-2/b2*8-7-;;
(3)InChIKey: VCALGUJWYYNHDY-FKXWWGRYBX
(4)Std. InChI: InChI=1S/2C11H20O2.Ba.H2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7,12H,1-6H3;;1H2/q;;+2;/p-2/b2*8-7-;;
(5)Std. InChIKey: VCALGUJWYYNHDY-ZJCTYWPYSA-L