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148607-25-4 molecular structure
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tris(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)terbium

ChemBase ID: 150063
Molecular Formular: C27H39Tb
Molecular Mass: 522.5239
Monoisotopic Mass: 522.23052225
SMILES and InChIs

SMILES:
CC1=C(C(=C(C1[Tb](C1C(=C(C(=C1C)C)C)C)C1C(=C(C(=C1C)C)C)C)C)C)C
Canonical SMILES:
CC1=C(C)C(=C(C1[Tb](C1C(=C(C(=C1C)C)C)C)C1C(=C(C(=C1C)C)C)C)C)C
InChI:
InChI=1S/3C9H13.Tb/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;
InChIKey:
VTIJOFRWKLSSMD-UHFFFAOYSA-N

Cite this record

CBID:150063 http://www.chembase.cn/molecule-150063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)terbium
IUPAC Traditional name
tris(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)terbium
Synonyms
Tris(tetramethylcyclopentadienyl)terbium(III)
三(四甲基环戊二烯基)铽(III)
CAS Number
148607-25-4
MDL Number
MFCD02093784
PubChem SID
162244225
24874466
PubChem CID
71311439

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
525065 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311439 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.193952  H Acceptors
H Donor LogD (pH = 5.5) 4.7976 
LogD (pH = 7.4) 4.7976  Log P 4.7976 
Molar Refractivity 123.3417 cm3 Polarizability 52.71827 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
175 °C(lit.) expand Show data source
Flash Point
149 °F expand Show data source
65 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
99.9% expand Show data source
Empirical Formula (Hill Notation)
C27H39Tb expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 525065 external link
General description
Atomic number of base material: 65 Terbium
Packaging
1 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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