(oxo-λ6-selanylidene)oxidane

• ChemBase ID: 111079
• Molecular Formular: O2Se
• Molecular Mass: 110.9588
• Monoisotopic Mass: 111.90635024
• SMILES: O=[Se]=O
• Canonical SMILES: O=[Se]=O
• InChI: InChI=1S/O2Se/c1-3-2
• InChIKey: JPJALAQPGMAKDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxo-λ^6-selanylidene)oxidane; (oxo-λ^4-selanylidene)oxidane; (oxo-$l^{4}-selanylidene)oxidane
• IUPAC Traditional name: (oxo-λ^6-selanylidene)oxidane; selenium dioxide
• Synonyms: Selenium(IV) oxide; Selenous anhydride; NSC 56753; Selenium oxide; Selenium dioxide; Selenium dioxide; Selenium(IV) oxide, Puratronic®; SELENIUM DIOXIDE; Selenium(IV) oxide; 二氧化硒; 二氧化硒(IV), Puratronic®; 二氧化硒(IV)

Database IDs

• CAS Number: 7446-08-4
• EC Number: 231-194-7
• MDL Number: MFCD00003562
• Merck Index: 148434
• PubChem SID: 24852252; 24859512; 24851959; 162096057; 24852777
• PubChem CID: 24007
• Chemspider ID: 22440
• Unique Ingredient Identifier: 9N3UK29E57
• Wikipedia Title: Selenium_dioxide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5555
• LogD (pH = 7.4): -0.5555
• Log P: -0.5555
• Molar Refractivity: 16.0007 cm^3
• Polarizability: 2.8796468 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.11 g/100 mL (14 °C) in acetic acid; 10.16 g/100 mL (12 °C) in methanol; 38.4 g/100 mL (20 °C) ; 39.5 g/100 ml (25 °C) ; 82.5 g/100 mL (65 °C) in water; 4.4 g/100 mL (15 °C) in acetone; 6.7 g/100 mL (15 °C) in ethanol; Partially soluble in water, methanol, ethanol, acetone. Soluble in concentrated H2SO4; soluble in benzene
• Apperance: off-white to pink powder; Powder; Powder/Lump; solid; white powder; White, yellowish white, or red crystalline solid
• Melting Point: 315 °C (subl.)(lit.); 340 °C (sealed tube); 340-350°C subl.
• Boiling Point: 350 °C subl.
• Flash Point: Non-flammable
• Density: 3.95; 3.954 g/cm^3, solid
• Refractive Index: > 1.76
• Vapor Pressure: 1 mmHg ( 157 °C); 1.65 kPa (70 °C)
• pKa: 2.62; 8.32
• Odor: rotten radishes

Safety Information

• RTECS: VS8575000
• European Hazard Symbols: Dangerous for the environment (N); Nature polluting (N); Toxic (T); Toxic (T)
• UN Number: 3283; UN3283
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; II
• Risk Statements: 23/25-33-50/53; R:23/25-33; R23/25, R33, R50/53
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21; S1/2, S20/21, S28, S45, S60, S61
• TSCA Listed: 是
• EU Index: 034-002-00-8
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  0
• GHS Hazard statements: H301-H331-H373-H400-H410; H301-H331-H373-H410
• GHS Precautionary statements: P260-P261-P301+P310-P321-P405-P501A; P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 3

Product Information

• Purity: ≥97.0% (RT); ≥99.9% trace metals basis; 98%; 99.4% (metals basis); 99.8% trace metals basis; 99.9%; 99.999% (metals basis); 99.999% trace metals basis
• Grade: purum; reagent grade; ReagentPlus®
• Linear Formula: SeO2

DETAILS

MP Biomedicals - 05217660

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 204315

Packaging
10, 50 g in glass bottle
Application
Mild oxidizing reagent for allylic olefins and acetylenes.1 Conversion of 1,3-diketones to 1,2,3-triones.2

Sigma Aldrich - 325473

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 200107

Packaging
5, 25 g in glass bottle
Application
Reactant involved in:
• Intramolecular oxidative cyclization1
• Oxidative amidation of aldehydes2
• Synthesis of FeSe nanostructures via electrochemical deposition3
• Regioselective allylic oxidation4
• Synthesis of CdSe quantum dots5
• Selenium nanoparticle sol-gel compound preparation and studies of antioxidant activity6

Sigma Aldrich - 213365

Application
Mild oxidizing reagent for allylic olefins and acetylenes.1 Conversion of 1,3-diketones to 1,2,3-triones2
Packaging
100, 500 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC