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16774-21-3 molecular structure
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λ?-cerium(4+) ion diammonium hexakis(nitrooxidane)

ChemBase ID: 105708
Molecular Formular: CeH8N8O18
Molecular Mass: 548.22232
Monoisotopic Mass: 547.90109346
SMILES and InChIs

SMILES:
[NH4+].[O-][N+](=O)[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[NH4+].[Ce+4]
Canonical SMILES:
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[NH4+].[NH4+].[Ce+4]
InChI:
InChI=1S/Ce.6NO3.2H3N/c;6*2-1(3)4;;/h;;;;;;;2*1H3/q+4;6*-1;;/p+2
InChIKey:
XMPZTFVPEKAKFH-UHFFFAOYSA-P

Cite this record

CBID:105708 http://www.chembase.cn/molecule-105708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ?-cerium(4+) ion diammonium hexakis(nitrooxidane)
λ4-cerium(4+) ion diammonium hexanitrate
IUPAC Traditional name
λ4-cerium(4+) ion diammonium hexanitronate
λ4-cerium(4+) ion diammonium hexanitrate
Synonyms
Cerium(IV) ammonium nitrate, ACS
Ammonium cerium IV Nitrate
CERIC AMMONIUM NITRATE ACS REAGENT GRADE
Ammonium cerium(IV) nitrate
CAN
Cerium(IV) ammonium nitrate
Cerium(IV) ammonium nitrate, REacton®
硝酸铈(Ⅳ)铵, ACS
硝酸铈(Ⅳ)铵
硝酸铈(Ⅳ)铵, REacton®
CAS Number
16774-21-3
EC Number
240-827-6
MDL Number
MFCD00151121
Merck Index
141992
PubChem SID
162093817
PubChem CID
180504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 180504 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) 0.8368004 
LogD (pH = 7.4) 0.8368004  Log P 0.8368004 
Molar Refractivity 8.3471 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 66.2 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water and alcohol expand Show data source
Apperance
Crystalline expand Show data source
Granular expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1477 expand Show data source
UN1477 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
II expand Show data source
Australian Hazchem
1Z expand Show data source
Risk Statements
8-36/37/38 expand Show data source
R:9-18 expand Show data source
Safety Statements
17-26-37-60 expand Show data source
S:13-16-27 expand Show data source
EU Classification
O2 expand Show data source
EU Hazard Identification Number
5.1B expand Show data source
Emergency Response Guidebook(ERG) Number
140 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H272-H315-H319-H335 expand Show data source
GHS Precautionary statements
P221-P210-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
≥98.5% expand Show data source
98.5% min expand Show data source
98+% expand Show data source
99.5% (REO) expand Show data source
Grade
ACS expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02193810 external link
ACS Reagent Grade
Purity: >98.5%

REFERENCES

REFERENCES

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  • • Catalyst for mild, selective opening of epoxides: Tetrahedron, 47, 9861 (1991).
  • • The direct conversion of aldehydes to nitriles in aqueous NH3, under extremely mild conditions, is mediated by CAN: Synlett, 262 (2003).
  • • Versatile oxidizing agent. For reviews, see: Chem. Rev., 92, 29 (1992); J. Prakt. Chem./ Chem. Ztg., 336, 470 (1994); Synlett, 834 (1999); 3014 (2005); Acc. Chem. Res., 37, 21 (2004). Examples of oxidations with CAN:
  • • For formation of dithioacetals, see 1,2-Ethanedithiol, L12865. For cleavage of dithioacetals, see 1,3-Dithiane, A10505.
  • • Selective conversion of alcohols to aldehydes: J. Chem. Soc., 5777 (1965); J. Org. Chem., 32, 2349, 3865 (1967). Oxidation of benzylic methyl groups to aldehydes or acetates: J. Org. Chem., 31, 2033 (1966); 45, 3906 (1980). For selective oxidation of 2-methylpyrroles to the aldehydes, see: Tetrahedron Lett., 36, 4345 (1995). Phenols to quinones: Synthesis, 347 (1973); Liebigs Ann. Chem., 1655, 1669 (1986). Cleavage of vic-diols to ketones and ɑ-hydroxy ketones to acids: J. Org. Chem., 34, 869 (1969); Synthesis, 560 (1972). Conversion of ɑ-diketones and a-keto esters to carboxylic acids: J. Org. Chem., 71, 4516 (2006). Oxidative bisdecarboxylation of malonic acid derivatives: Tetrahedron Lett., 29, 769 (1988). Regeneration of carbonyl compounds from oximes or semicarbazones: Can. J. Chem., 47, 145 (1969); Synthesis, 347 (1973). Catalytic deprotection of Boc protected alcohols, amines and thiols: Tetrahedron Lett., 37, 2035 (1996). Debenzylation of N-benzyl tertiary amines: J. Chem. Soc., Perkin 1, 3765 (2000). Decomplexation of transition metal π-complexes: Org. Synth. Coll., 8, 460 (1993). Oxidative addition of olefins to the ɑ-position of ketones: Tetrahedron Lett., 28, 5357 (1987); Synth. Commun., 18, 1841 (1988).
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PATENTS

PATENTS

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INTERNET

INTERNET

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