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132-65-0 molecular structure
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tris(λ4-cerium(4+) ion) (dihydroxydioxidoiodosyl)olate nonanitrate

ChemBase ID: 150259
Molecular Formular: Ce3H2IN9O33
Molecular Mass: 1203.30885
Monoisotopic Mass: 1202.49628557
SMILES and InChIs

SMILES:
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O[I](=O)(O)([O-])([O-])[O-].[Ce+4].[Ce+4].[Ce+4]
Canonical SMILES:
[O-][I](=O)(O)(O)([O-])[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ce+4].[Ce+4].[Ce+4]
InChI:
InChI=1S/3Ce.H5IO6.9NO3/c;;;2-1(3,4,5,6)7;9*2-1(3)4/h;;;(H5,2,3,4,5,6,7);;;;;;;;;/q3*+4;;9*-1/p-3
InChIKey:
UAFAVRCQSOGROV-UHFFFAOYSA-K

Cite this record

CBID:150259 http://www.chembase.cn/molecule-150259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(λ4-cerium(4+) ion) (dihydroxydioxidoiodosyl)olate nonanitrate
IUPAC Traditional name
tris(λ4-cerium(4+) ion) dihydroxydioxidoiodosylolate nonanitrate
Synonyms
Tris[trinitratocerium(IV)] paraperiodate
DBT
U - Dibenzothiophene
三[三硝酸铈(IV)]高碘酸
二苯噻吩
二苯并噻吩
CAS Number
132-65-0
94316-41-3
PubChem SID
162244420
24867903
PubChem CID
11982942

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
442550 external link Add to cart Please log in.
Data Source Data ID
PubChem 11982942 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 24.2416 cm3 Polar Surface Area 126.71 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90 °C(lit.) expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1479 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
8-20/22-36/37/38 expand Show data source
Safety Statements
17-26-36 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H302-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P220-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), 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 1479 5.1/PG 2 expand Show data source
Linear Formula
[Ce(NO3)3]3(H2IO6) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442550 external link
Packaging
5 g in glass bottle
Sigma Aldrich - 442550 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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