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108150-19-2 molecular structure
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bis(1H-inden-1-yl)(iodo)vanadium

ChemBase ID: 152921
Molecular Formular: C18H14IV
Molecular Mass: 408.14973
Monoisotopic Mass: 407.95798295
SMILES and InChIs

SMILES:
c1ccc2c(c1)C=CC2[V](C1C=Cc2c1cccc2)I
Canonical SMILES:
I[V](C1C=Cc2c1cccc2)C1C=Cc2c1cccc2
InChI:
InChI=1S/2C9H7.HI.V/c2*1-2-5-9-7-3-6-8(9)4-1;;/h2*1-7H;1H;/q;;;+1/p-1
InChIKey:
PAIIOIYTKDHMHA-UHFFFAOYSA-M

Cite this record

CBID:152921 http://www.chembase.cn/molecule-152921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(1H-inden-1-yl)(iodo)vanadium
IUPAC Traditional name
bis(1H-inden-1-yl)(iodo)vanadium
Synonyms
Iodobis(indenyl)vanadium(III)
双(茚基)钒(III)碘
CAS Number
108150-19-2
MDL Number
MFCD04039930
PubChem SID
24880725

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 574333 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
574333 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.761112  H Acceptors
H Donor LogD (pH = 5.5) 5.5604 
LogD (pH = 7.4) 5.5604  Log P 5.5604 
Molar Refractivity 91.1018 cm3 Polarizability 37.07872 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
>300 °C(lit.) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3285 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
23/24/25-36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H315-H319-H331-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3285 6.1/PG 3 expand Show data source
Empirical Formula (Hill Notation)
C18H14IV expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 574333 external link
Packaging
1, 5 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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