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1333-82-0 molecular structure
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λ6-chromium(6+) ion trioxidandiide

ChemBase ID: 302744
Molecular Formular: CrO3
Molecular Mass: 99.9943
Monoisotopic Mass: 99.92525136
SMILES and InChIs

SMILES:
[O-2].[O-2].[O-2].[Cr+6]
Canonical SMILES:
[O-2].[O-2].[O-2].[Cr+6]
InChI:
InChI=1S/Cr.3O/q+6;3*-2
InChIKey:
GAMDZJFZMJECOS-UHFFFAOYSA-N

Cite this record

CBID:302744 http://www.chembase.cn/molecule-302744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ6-chromium(6+) ion trioxidandiide
IUPAC Traditional name
λ6-chromium(6+) ion trioxidandiide
Synonyms
Chromium(VI) oxide
Chromic anhydride
Chromic acid
Chromium(VI) oxide, ACS
三氧化铬(VI)
三氧化铬(VI), ACS
CAS Number
1333-82-0
EC Number
215-607-8
MDL Number
MFCD00010952
Merck Index
142235

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 10691 external link Add to cart 12522 external link Add to cart 36468 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 13.1149 cm3 Polarizability 1.8190874 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)
Solubility
Soluble in water, H2SO4, and alcohol expand Show data source
Apperance
Crystalline expand Show data source
Melting Point
196°C expand Show data source
Boiling Point
250°C dec. expand Show data source
Density
2.7 expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
GB6650000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Oxidising Oxidising (O) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
UN1463 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
45-46-9-24/25-26-35-42/43-48/23-62-50/53 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H271-H301-H310-H330-H317-H334-H340-H350-H372-H361-H314-H318-H400-H410 expand Show data source
GHS Precautionary statements
P221-P283-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A expand Show data source
Purity
98+% expand Show data source
99% expand Show data source
99.9% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Numerous examples of oxidations with this reagent are to be found in Organic Syntheses. For directions for preparation of chromic acid (Jones) reagent, see: Org. Synth. Coll., 5, 866 (1973).
  • • For preparation of alumina-supported reagent, and use in chemoselective oxidation, for example of allylic alcohols, see: Synth. Commun., 24, 1823 (1994). For selective oxidation of aliphatic alcohols to aldehydes in ether/water, see: Chem. Ind. (London), 312 (1989). Has also been used catalytically in the presence of a co-oxidant, see Sodium perborate tetrahydrate, A10189, and Periodic acid, B20433.
  • • Several CrO3 based reagents have been developed, usually with the objective of increasing selectivity, of which CrO3:(Pyridine)2 (Collins' reagent) is probably the most widely used. For a procedure, see: Org. Synth. Coll., 6, 644 (1988). However, to control the highly exothermic reaction (possible fire hazard!), the reagent is probably best prepared and used in situ in dichloromethane: J. Org. Chem., 35, 4000 (1970); Org. Synth. Coll., 6, 373 (1988);or acetonitrile: J. Org. Chem., 45, 1135, 1142 (1980). The use of Celite. as a support for the reagent has been found to be beneficial: same ref. and: Synth. Commun., 3, 115 (1973); Tetrahedron Lett., 2079 (1973). See also Pyridinium chlorochromate, A11752, 2,2'-Bipyridine, A15782, 3,5-Dimethyl-1H-pyrazole, A10157, and Potassium chlorochromate, A19000.
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PATENTS

PATENTS

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INTERNET

INTERNET

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