diarsooxidane hydrate

• ChemBase ID: 137308
• Molecular Formular: As2H2O6
• Molecular Mass: 247.85548
• Monoisotopic Mass: 247.82832978
• SMILES: O.O=[As](=O)O[As](=O)=O
• Canonical SMILES: O=[As](=O)O[As](=O)=O.O
• InChI: InChI=1S/As2O5.H2O/c3-1(4)7-2(5)6;/h;1H2
• InChIKey: XSIWZGKXZLITBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diarsooxidane hydrate
• IUPAC Traditional name: arsenic pentoxide hydrate
• Synonyms: Arsenic pentoxide hydrate; Arsenic(V) oxide hydrate; 五氧化二砷 水合物

Database IDs

• CAS Number: 12044-50-7
• EC Number: 215-116-9
• MDL Number: MFCD00149146
• PubChem SID: 162231572; 24862197; 24855456
• PubChem CID: 16211720

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3656
• LogD (pH = 7.4): 0.3656
• Log P: 0.3656
• Molar Refractivity: 7.1218 cm^3
• Polarizability: 11.469336 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 4.32 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1559
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 45-23/25-50/53
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H350-H410
• GHS Precautionary statements: P201-P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: 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 1559 6.1/PG 2

Product Information

• Purity: ≥99.99%; 97%
• Compostion: Degree of hydration, ~3; Degree of hydration, 2-5
• Linear Formula: As2O5 · xH2O

DETAILS

Sigma Aldrich - 255459

Packaging
100 g in glass bottle

Sigma Aldrich - 363456

Packaging
25 g in ampule