17594-47-7

Name Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate
CAS 17594-47-7
Molecular Formula C22H40BaO5
MDL Number MFCD06200255
Molecular Weight 521.88
MOL File 17594-47-7.mol
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Chemical Properties

Melting point  175-180 °C(lit.)
Boiling point  225°C 0,05mm
Fp  225°C/0.3mm
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  Powder
color  white
Hydrolytic Sensitivity 4: no reaction with water under neutral conditions
Sensitive  Hygroscopic
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-;;
InChIKey VCALGUJWYYNHDY-ZJCTYWPYSA-L
SMILES [H]O[H].CC(C)(C)C(=O)\C=C(/O[Ba]O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
CAS DataBase Reference 17594-47-7(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,T
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN1564
WGK Germany  1
TSCA  No
HazardClass  6.1
PackingGroup  III
HS Code  2805191000
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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