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74507-64-5 molecular structure
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magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)

ChemBase ID: 134604
Molecular Formular: C20H30Mg
Molecular Mass: 294.7572
Monoisotopic Mass: 294.21979266
SMILES and InChIs

SMILES:
CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C.[Mg+2]
Canonical SMILES:
C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Mg+2]
InChI:
InChI=1S/2C10H15.Mg/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
InChIKey:
QZNMZKZCVOJICG-UHFFFAOYSA-N

Cite this record

CBID:134604 http://www.chembase.cn/molecule-134604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
Synonyms
MgCp2
Bis(pentamethylcyclopentadienyl)magnesium
双(五甲基环戊二烯)镁
CAS Number
74507-64-5
MDL Number
MFCD00151387
PubChem SID
162228880
24873640
PubChem CID
24942212

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24942212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.574366  H Acceptors
H Donor LogD (pH = 5.5) 2.7594643 
LogD (pH = 7.4) 2.7594643  Log P 4.3233 
Molar Refractivity 46.921 cm3 Polarizability 17.660542 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
Crystalline, Packaged in ampoules expand Show data source
solid expand Show data source
Melting Point
230 °C (dec.)(lit.) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
3391 expand Show data source
UN3181 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
4.2 expand Show data source
Packing Group
1 expand Show data source
II expand Show data source
Risk Statements
11 expand Show data source
17 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
33 expand Show data source
TSCA Listed
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
H250 expand Show data source
GHS Precautionary statements
P210-P241-P280-P240-P370+P378A expand Show data source
P222-P231-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 3391 4.2/PG 1 expand Show data source
Purity
99.999% (metals basis) expand Show data source
99.999% trace metals basis expand Show data source
Grade
electronic grade expand Show data source
Empirical Formula (Hill Notation)
C20H30Mg expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 512540 external link
General description
Atomic number of base material: 12 Magnesium
Packaging
1 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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