dipropyl sulfite

• ChemBase ID: 302266
• Molecular Formular: C6H14O3S
• Molecular Mass: 166.23856
• Monoisotopic Mass: 166.06636531
• SMILES: CCCOS(=O)OCCC
• Canonical SMILES: CCCOS(=O)OCCC
• InChI: InChI=1S/C6H14O3S/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3
• InChIKey: MAIQPVFXODAAIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropyl sulfite
• IUPAC Traditional name: dipropyl sulfite
• Synonyms: Di-n-propyl sulfite; 亚硫酸二正丙酯

Database IDs

• CAS Number: 623-98-3
• MDL Number: MFCD00059404
• Beilstein Number: 1703571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6262984
• LogD (pH = 7.4): 1.6262984
• Log P: 1.6262984
• Molar Refractivity: 39.8377 cm^3
• Polarizability: 16.82382 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107-109°C/42mm
• Flash Point: 110°C(230°F)
• Density: 1.030
• Refractive Index: 1.4210

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3334
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%