octadecane-1-sulfonyl chloride

• ChemBase ID: 301912
• Molecular Formular: C18H37ClO2S
• Molecular Mass: 353.00318
• Monoisotopic Mass: 352.2202791
• SMILES: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl
• InChI: InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
• InChIKey: VDRWNKIQBYUKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecane-1-sulfonyl chloride
• IUPAC Traditional name: octadecane-1-sulfonyl chloride
• Synonyms: 1-Octadecylsulfonyl chloride; 1-Octadecanesulfonyl chloride; 1-十八烷基磺酰氯 95%

Database IDs

• CAS Number: 10147-41-8
• EC Number: 233-417-3
• MDL Number: MFCD00051521
• Beilstein Number: 1794152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.505072
• LogD (pH = 7.4): 7.505072
• Log P: 7.505072
• Molar Refractivity: 98.5146 cm^3
• Polarizability: 39.933273 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 56-60°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: 否
• 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: 95%