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Erbium;2,2,6,6-tetramethylheptane-3,5-dione

HCID 425549
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Basic information

CAS
35733-23-4
Standard SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Er]
InChIKey
PRYGICXWMYVFKG-LWTKGLMZSA-K
Molecular formula
C33H60ErO6
Average molar mass
720.1 g/mol
Monoisotopic mass
718.369291

Names & identifiers

Preferred name
Erbium;2,2,6,6-tetramethylheptane-3,5-dione
IUPAC
erbium;tris(2,2,6,6-tetramethylheptane-3,5-dione)
English name
Erbium Tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
Molecular formula
C33H57ErO6
Molecular weight
717.06

Names & synonyms

erbium;2,2,6,6-tetramethylheptane-3,5-dione35733-23-4NSC174891NSC-174891ER(TMHD)3ERBIUM-DPMERBIUM-THD-3,5-heptanedionate)Erbium TetramethylheptanedionateErbium(III) tris(2,2,6,6-tetramethyLERBIUM (2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ERBIUM
Show more names
Erbium Tris(2,2,6,6-tetramethyl-3,5-heptanedionate)

Database identifiers

CAS
35733-23-4
PubChem CID
425549

Properties

Computed structural properties

Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Formal charge
0
Complexity
693

Physicochemical properties

Melting point
168 · 168-171°C
Boiling point
345 °C · 345°C
form
crystal
color
pink
Hydrolytic Sensitivity
4 · 4: no reaction with water under neutral conditions
InChI
1S/3C11H20O2.Er/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;
InChIKey
PRYGICXWMYVFKG-LWTKGLMZSA-K
SMILES
CC(C)(C)C(=O)\C=C(/O[Er](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)C(C)(C)C
UNSPSC Code
12352103 · 12352103
NACRES
23 · NA.23
PPE
95 · Eyeshields, Gloves, type N95 (US)
WGK Germany
3 · 3
TSCA
No
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
No
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

General DescriptionAtomic number of base material: 68 Erbium

Related reactions

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Compound notes

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