Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')praseodymium
Basic information
- CAS
15492-48-5- Standard SMILES
CC(C)(C)C(=O)C=C([O-])C(C)(C)C.CC(C)(C)C(=O)C=C([O-])C(C)(C)C.CC(C)(C)C(=O)C=C([O-])C(C)(C)C.[Pr+3]- InChIKey
HDONDLBRVFKILD-UHFFFAOYSA-K- Molecular formula
- C33H57O6Pr
- Average molar mass
- 690.7 g/mol
- Monoisotopic mass
- 690.32317
Overview
See other relationships...
Names & identifiers
- Preferred name
- Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')praseodymium
- IUPAC
- praseodymium(3+);tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
- English name
- Pr(TMHD)3
- Molecular formula
- C33H57O6Pr
- Molecular weight
- 690.71
Names & synonyms
DTXSID80870884RefChem:900154DTXCID301437144239-522-0Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')praseodymium15492-48-5Pr(tmhd)3C33H57O6PrTris(dipivalomethanato)praseodymiumPr(dpm)3Pr(thd)3Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)praseodymium(III)
Show more names
Nsc143519resolve-al prPRASEODYMIUM-DPMPRASEODYMIUM-THDRESOLVE-AL(TM) PRRESOLVE-AL PR 99%Praseodymium-shift
MFCD00000027praseodymium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olatePraseodymium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)Praseodymium(3+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olatepraseodymium(3+);2,2,6,6-tetramethylheptane-3,5-dionepraseodymium(3+);2,2,6,6-tetramethyl-5-oxo-hept-3-en-3-olateTris(2,2,6,6-tetramethyl- 3,5-heptanedionato)praseodymium(III)
Database identifiers
- CAS
15492-48-5
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 219 · 219-221 °C(lit.)
- Boiling point
- 300 °C · 300°C
- form
- Powder
- color
- light green
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- CAS DataBase Reference
- 15492 · 15492-48-5
- EPA Substance Registry System
- Praseodymium, tris(2,2,6,6-tetramethyl-3,5-heptanedionato-.kappa.O,.kappa.O')-, (OC-6-11)- (15492-48-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-39-36/37-26
- WGK Germany
- 3 · 3
- F
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-8-10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2931.90.9051
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-39-36/37-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesTris(2,2,6,6-tetramethyl-3,5-heptanedionato)praseodymium(III) (CAS# 15492-48-5) is an NMR shift reagent. Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)praseodymium(III) has also been used in the preparation of superconductive materials, such as gallium praseodymium oxide (PrGaO3) thin films.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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