methaneseleninic acid

• ChemBase ID: 151118
• Molecular Formular: CH4O2Se
• Molecular Mass: 127.00126
• Monoisotopic Mass: 127.93765037
• SMILES: C[Se](=O)O
• Canonical SMILES: C[Se](=O)O
• InChI: InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)
• InChIKey: UEQANLFPOFICBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methaneseleninic acid
• IUPAC Traditional name: methaneseleninic acid
• Synonyms: Methylseleninic acid; Methaneseleninic acid; 甲亚硒酸

Database IDs

• CAS Number: 28274-57-9
• MDL Number: MFCD03093983
• PubChem SID: 162245276; 24878530
• PubChem CID: 161597

CALCULATED PROPERTIES

• Acid pKa: 1.5
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2695434
• LogD (pH = 7.4): -3.2773001
• Log P: -1.0136
• Molar Refractivity: 23.0681 cm^3
• Polarizability: 4.721937 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-132 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2928
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/25-33-34-50/53
• Safety Statements: 20/21-26-28-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H331-H373-H410
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P310
• 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 2928 6.1/PG 2

Product Information

• Purity: 95%
• Linear Formula: CH3SeO2H

DETAILS

Sigma Aldrich - 541281

Packaging
1 g in glass bottle