trioxochromium

• ChemBase ID: 126564
• Molecular Formular: CrO3
• Molecular Mass: 99.9943
• Monoisotopic Mass: 99.92525136
• SMILES: O=[Cr](=O)=O
• Canonical SMILES: O=[Cr](=O)=O
• InChI: InChI=1S/Cr.3O
• InChIKey: WGLPBDUCMAPZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxochromium
• IUPAC Traditional name: chromium trioxide
• Synonyms: Chromic acid on Amberlyst® A-26; Chromic acid, polymer-supported; Chromium trioxide; Chromic anhydride; chromium(VI) oxide; chromic acie; anhydride; chromic acid (misnomer); Chromium(VI) oxide; Chromium trioxide solution in sulfuric acid; Sulfuric acid-chromium trioxide mixture; Jone′s reagent; Amberlyst® A-26 负载铬酸; 聚合物负载铬酸; 铬酸酐; 三氧化铬(VI)

Database IDs

• CAS Number: 1333-82-0; 65272-70-0
• EC Number: 215-607-8
• MDL Number: MFCD00010952
• PubChem SID: 24854172; 24885294; 24862111; 24853922; 24846067; 162220896; 24856401; 24874346
• PubChem CID: 14915
• CHEBI ID: 48240
• Chemspider ID: 14212
• Unique Ingredient Identifier: 8LV49809UC
• Wikipedia Title: Chromium_trioxide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8042
• LogD (pH = 7.4): -1.8042
• Log P: -1.8042
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.259193 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 61.7 g/100 mL (0 °C) ; 63 g/100 mL (25 °C) ; 67.45 g/100 mL (100 °C) in water; soluble in sulfuric acid, nitric acid, ethyl alcohol, ethyl ether, acetic acid, acetone
• Apperance: (powder and or flakes); crystalline; dark red granular solid ; deliquescent; macroporous; powder
• Melting Point: 196 °C (dec.)(lit.); 197°C
• Boiling Point: 251°C (decomposes)
• Density: 2.70 g/cm^3 (20 °C)
• Odor: odorless
• Std enthalpy of formation: -579 kJ·mol^-1
• Std molar entropy: 72 J·mol^-1·K^-1

Safety Information

• RTECS: GB6650000
• European Hazard Symbols: Carc. Cat. 1; Dangerous for the environment (N); Muta. Cat. 2; Nature polluting (N); Oxidising (O); Oxidizer (O); Repr. Cat. 3; Toxic (T); Highly toxic (T+); Very toxic (T+)
• UN Number: 1463; 1830
• German water hazard class: 3
• Hazard Class: 5.1; 8
• Packing Group: 2
• Risk Statements: 45-46-60-61-23-35-42/43-48/20-51/53; 45-46-8-24/25-26-35-42/43-48/23-50/53-62; 45-46-9-24/25-26-35-42/43-48/23-50/53-62; R45, R46, R9, R24/25, R26, R35, R42/43, R48/23, R62, R50/53
• Safety Statements: 53-22-26-28-36/37/39-45-60-61; 53-23-26-36/37/39-45-61; 53-45-60-61; S53, S45, S60, S61
• EU Index: 024-001-00-0
• GHS Pictograms: GHS03; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  1

  OX
• LD50: 80 mg/kg
• GHS Hazard statements: H271-H301-H311-H314-H317-H330-H334-H340-H350-H361f-H372-H410; H271-H301-H311-H314-H317-H330-H334-H340-H350-H361-H372-H410; H272-H302-H314-H317-H330-H334-H335-H340-H350-H361-H372-H410; H314-H317-H331-H334-H340-H350-H360FD-H373-H411
• GHS Precautionary statements: P201-P220-P260-P273-P280-P284; P201-P261-P273-P280-P305 + P351 + P338-P310
• 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 P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; 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
• RID/ADR: UN 1463 5.1/PG 2; UN 1830 8/PG 2

Product Information

• Purity: ~2% CrO3 basis; ≥95.0%; ≥98.0%; ≥99%; ≥99.0% (RT); 99.9% trace metals basis; 99.99%
• Grade: ACS reagent; CP; puriss. p.a.; purum p.a.; ReagentPlus®; SAJ first grade; SAJ special grade
• Particle Size: 20-50 mesh
• Impurities: ≤0.005% total nitrogen (N); ≤0.01% Insoluble matter; ≤0.01% insolubles
• Cation Traces: Al: ≤50 mg/kg; Ba: ≤50 mg/kg; Ca: ≤100 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Cu: ≤10 mg/kg; Cu: ≤50 mg/kg; Fe, Al, Ba: ≤0.03%; Fe: ≤100 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤10 mg/kg; Na: ≤0.2%; Na: ≤2000 mg/kg; Ni: ≤5 mg/kg; Pb: ≤100 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.005%; chloride (Cl-): ≤50 mg/kg; nitrate (NO3-): ≤0.05%; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤50 mg/kg
• Extent of Labeling: ~2.5 mmol/g loading
• Empirical Formula (Hill Notation): CrO3

DETAILS

Sigma Aldrich - 07404

Application
Reactant for:
• Oxidation of oximes to carbonyl compounds1
• Oxidation of benzoins to benzils2

Sigma Aldrich - 675644

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 207829

Packaging
1 kg in glass bottle
5 g in glass bottle

Sigma Aldrich - 359823

Application
Polymer-supported reagent for the clean oxidation of primary and secondary alcohols to carbonyl compounds in high yields.
Packaging
25, 100 g in glass bottle
Legal Information
Amberlyst is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 27081

Other Notes
Oxidant used in the decomposition by solubilization or fusion1,2

Sigma Aldrich - 523577

Packaging
100 g in glass bottle

Sigma Aldrich - 232653

Application
Used with ammonium chloride to oxidize hydrobenzoins to benzils.1
Packaging
1, 2.5 kg in glass bottle
5, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 236470

Packaging
100, 500 g in glass bottle