diethyl sulfite

• ChemBase ID: 108598
• Molecular Formular: C4H10O3S
• Molecular Mass: 138.1854
• Monoisotopic Mass: 138.03506518
• SMILES: CCOS(=O)OCC
• Canonical SMILES: CCOS(=O)OCC
• InChI: InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
• InChIKey: NVJBFARDFTXOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl sulfite
• IUPAC Traditional name: diethyl sulfite
• Synonyms: Diethyl sulphite; Sulfurous acid, diethyl ester; Diethyl sulfite; DIETHYL SULFITE; 亚硫酸二乙酯

Database IDs

• CAS Number: 623-81-4
• EC Number: 210-815-5
• MDL Number: MFCD00009098
• Beilstein Number: 1701906
• PubChem SID: 24853552; 162095525
• PubChem CID: 12197
• Chemspider ID: 11697
• Wikipedia Title: Diethyl_sulfite

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6398804
• LogD (pH = 7.4): 0.6398804
• Log P: 0.6398804
• Molar Refractivity: 30.7897 cm^3
• Polarizability: 13.17484 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear liquid
• Boiling Point: 158-160 °C(lit.); 158–160 °C
• Flash Point: 129.2 °F; 54 °C
• Density: 1.077 g/mL at 25 °C(lit.); 1.88 g/cm^3
• Refractive Index: n20/D 1.414(lit.)

Safety Information

• RTECS: WT3511000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: (C2H5O)2SO

DETAILS

MP Biomedicals - 05208013

MP Biomedicals Rare Chemical collection