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Tris(acetylacetonato)(1,10-phenanthroline)terbium(III)

Catalog Number
ACM18078869-2
CAS Number
18078-86-9
Product Name
Tris(acetylacetonato)(1,10-phenanthroline)terbium(III)
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
(Z)-4-oxopent-2-en-2-olate;1,10-phenanthroline;terbium(3+)
Molecular Weight
636.5
Molecular Formula
C27H29N2O6Tb
Canonical SMILES
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C1=CC2=C(N=C1)C3=C(C=C2)C=CC=N3.[Tb+3]
InChI
InChI=1S/C12H8N2.3C5H8O2.Tb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-4(6)3-5(2)7;/h1-8H;3*3,6H,1-2H3;/q;+3/p-3/b;3*4-3-;
InChI Key
YUDOUPKNKVFAMM-XUHIWKAKSA-K
Melting Point
418 °C
Purity
98%
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
273
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
0
Exact Mass
636.12792
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
36
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C1=CC2=C(N=C1)C3=C(C=C2)C=CC=N3.[Tb+3]
MDL Number
MFCD00191693
Monoisotopic Mass
636.12792
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
3
Signal Word
Warning
Specification
≥98%
Topological Polar Surface Area
146 Ų
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