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1277-47-0 molecular structure
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vanadium(2+) ion bis(cyclopenta-2,4-dien-1-ide)

ChemBase ID: 150232
Molecular Formular: C10H10V
Molecular Mass: 181.1279
Monoisotopic Mass: 181.02220982
SMILES and InChIs

SMILES:
C1=C[CH-]C=C1.C1=C[CH-]C=C1.[V+2]
Canonical SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[V+2]
InChI:
InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey:
YXQWGVLNDXNSJJ-UHFFFAOYSA-N

Cite this record

CBID:150232 http://www.chembase.cn/molecule-150232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
vanadium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
vanadium(2+) ion bis(cyclopentadienide)
Synonyms
Bis(cyclopentadienyl)vanadium(II)
双(环戊二烯)钒(II)
CAS Number
1277-47-0
MDL Number
MFCD00058735
PubChem SID
24863620
162244393
PubChem CID
71311455

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
379158 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311455 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
165-167 °C(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2926 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
3 expand Show data source
Risk Statements
11-23/24/25-36/37/38 expand Show data source
Safety Statements
16-26-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H301-H311-H315-H319-H331-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, 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 2926 4.1/PG 3 expand Show data source
Linear Formula
V(C5H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 379158 external link
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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