benzeneseleninyl benzeneseleninate

• ChemBase ID: 139865
• Molecular Formular: C12H10O3Se2
• Molecular Mass: 360.126
• Monoisotopic Mass: 361.89603618
• SMILES: c1ccc(cc1)[Se](=O)O[Se](=O)c1ccccc1
• Canonical SMILES: O=[Se](c1ccccc1)O[Se](=O)c1ccccc1
• InChI: InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H
• InChIKey: FHPZOWOEILXXBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzeneseleninyl benzeneseleninate
• IUPAC Traditional name: benzeneseleninyl benzeneseleninate
• Synonyms: Benzeneseleninic acid anhydride; Phenylseleninic anhydride; Benzeneseleninic anhydride; 苯亚硒酸酐

Database IDs

• CAS Number: 17697-12-0
• EC Number: 241-701-3
• MDL Number: MFCD00001991
• Beilstein Number: 2332406
• PubChem SID: 24852763; 162234113
• PubChem CID: 87253

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0674
• LogD (pH = 7.4): 3.0674
• Log P: 3.0674
• Molar Refractivity: 81.4144 cm^3
• Polarizability: 22.042776 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-165°C (lit); 165-170 °C; 165-170 °C(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283; UN3283
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61; 45-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H330-H373-H410; H301-H331-H373-H400-H410; H301-H331-H373-H410
• GHS Precautionary statements: P260-P273-P284-P301 + P310-P310-P501; P261-P273-P301 + P310-P311-P501; P273-P270-P302+P352-P309-P310-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 2

Product Information

• Purity: ≥98.0% (T); 70%; tech. 70%
• Grade: purum
• Impurities: <30% benzeneseleninic acid
• Linear Formula: C6H5SeOOSeOC6H5

DETAILS

Sigma Aldrich - 213012

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 12590

Other Notes
Mild oxidizing agent1

REFERENCES

• Selective oxidant which converts benzylic alcohols to aldehydes in high yield: J. Chem. Soc., Chem. Commun., 952 (1978); Tetrahedron Lett., 3331 (1979); J. Org. Chem., 46, 1442 (1981). Oxidizes phenols to o-quinones: J. Chem. Soc., Perkin 1, 1473 (1981): Tetrahedron, 44, 6397 (1988):
  
• Reagent for the dehydrogenation of ketones to ɑ?-enones and of cyclic enones to dienones: J. Chem. Soc., Perkin 1, 2209 (1980); J. Chem. Soc., Chem. Commun., 1044 (1981). δ-Lactones are also converted to their ɑ?-unsaturated derivatives: J. Chem. Soc., Perkin 1, 1919 (1982). Hydrazines can be converted to azo compounds; hydrazine itself gives diimide: J. Org. Chem., 46, 1564 (1981). 3-Substituted indolines give indoles: J. Chem. Soc., Perkin 1, 707 (1990).
• Monograph: Organoselenium Chemistry, D. Liotta, Ed., Wiley, N.Y. (1987).