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62927-99-5 molecular structure
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cyclopenta-2,4-dien-1-ide; tetrachloromolybdenumylium

ChemBase ID: 143012
Molecular Formular: C5H5Cl4Mo
Molecular Mass: 302.8652
Monoisotopic Mass: 302.81994388
SMILES and InChIs

SMILES:
C1=C[CH-]C=C1.Cl[Mo+](Cl)(Cl)Cl
Canonical SMILES:
[CH-]1C=CC=C1.Cl[Mo+](Cl)(Cl)Cl
InChI:
InChI=1S/C5H5.4ClH.Mo/c1-2-4-5-3-1;;;;;/h1-5H;4*1H;/q-1;;;;;+5/p-4
InChIKey:
MOELAHZVPBJYHP-UHFFFAOYSA-J

Cite this record

CBID:143012 http://www.chembase.cn/molecule-143012.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopenta-2,4-dien-1-ide; tetrachloromolybdenumylium
IUPAC Traditional name
cyclopentadienide; tetrachloromolybdenumylium
Synonyms
Tetrachloro(η5-2,4-cyclopentadien-1-yl)molybdenum
Cyclopentadienylmolybdenum(V) tetrachloride
环戊二烯四氯化钼
CAS Number
62927-99-5
MDL Number
MFCD00269826

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 710520 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
710520 external link Add to cart Please log in.
Data Source Data ID

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)
Melting Point
245-249 °C (dec.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C5H5Cl4Mo expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 710520 external link
Packaging
1 g in glass bottle
Application
Catalyst for polymerization of substituted acetylenes1Reactant for reaction with bismuth alkoxides2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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