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1295-20-1 molecular structure
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ytterbium(3+) ion tris(cyclopenta-2,4-dien-1-ide)

ChemBase ID: 150823
Molecular Formular: C15H15Yb
Molecular Mass: 368.3336
Monoisotopic Mass: 369.05623748
SMILES and InChIs

SMILES:
C1=C[CH-]C=C1.C1=C[CH-]C=C1.C1=C[CH-]C=C1.[Yb+3]
Canonical SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Yb+3]
InChI:
InChI=1S/3C5H5.Yb/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKey:
JCWMQECJDTYOET-UHFFFAOYSA-N

Cite this record

CBID:150823 http://www.chembase.cn/molecule-150823.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ytterbium(3+) ion tris(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
ytterbium(3+) ion tris(cyclopentadienide)
Synonyms
Tris(cyclopentadienyl)ytterbium(III)
三(环戊二烯)镱(III)
CAS Number
1295-20-1
EC Number
215-071-5
MDL Number
MFCD00064762
PubChem SID
24872748
162244983
PubChem CID
16052391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
492434 external link Add to cart Please log in.
Data Source Data ID
PubChem 16052391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.226988  H Acceptors
H Donor LogD (pH = 5.5) 1.499 
LogD (pH = 7.4) 1.499  Log P 2.248 
Molar Refractivity 21.715 cm3 Polarizability 8.791516 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
277 °C (dec.)(lit.) expand Show data source
Flash Point
185 °F expand Show data source
85 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
3395 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
11-14/15 expand Show data source
Safety Statements
7/8-43 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H228-H261 expand Show data source
GHS Precautionary statements
P210-P231 + P232-P422 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 3395 4.3/PG 3 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
99.9% trace metals basis expand Show data source
Linear Formula
Yb(C5H5)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 492434 external link
General description
Atomic number of base material: 70 Ytterbium
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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