decane-1-sulfonyl chloride

• ChemBase ID: 302028
• Molecular Formular: C10H21ClO2S
• Molecular Mass: 240.79054
• Monoisotopic Mass: 240.09507859
• SMILES: CCCCCCCCCCS(=O)(=O)Cl
• Canonical SMILES: CCCCCCCCCCS(=O)(=O)Cl
• InChI: InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3
• InChIKey: WCKKWABZCCKDTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decane-1-sulfonyl chloride
• IUPAC Traditional name: decane-1-sulfonyl chloride
• Synonyms: 1-Decylsulfonyl chloride; 1-Decanesulfonyl chloride; 1-癸烷磺酰氯

Database IDs

• CAS Number: 61652-81-1
• MDL Number: MFCD00051746
• Beilstein Number: 1771852

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.948523
• LogD (pH = 7.4): 3.948523
• Log P: 3.948523
• Molar Refractivity: 61.7066 cm^3
• Polarizability: 25.225548 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-34°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%