dodecane-1-sulfonyl chloride

• ChemBase ID: 301885
• Molecular Formular: C12H25ClO2S
• Molecular Mass: 268.8437
• Monoisotopic Mass: 268.12637872
• SMILES: CCCCCCCCCCCCS(=O)(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)Cl
• InChI: InChI=1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
• InChIKey: PBULHKIPTBIZHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecane-1-sulfonyl chloride
• IUPAC Traditional name: dodecane-1-sulfonyl chloride
• Synonyms: 1-Dodecylsulfonyl chloride; 1-Dodecanesulfonyl chloride; Dodecane-1-sulfonyl chloride; 1-十二烷基磺酰氯

Database IDs

• CAS Number: 10147-40-7
• EC Number: 233-416-8
• MDL Number: MFCD00014728
• Beilstein Number: 1778092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8376603
• LogD (pH = 7.4): 4.8376603
• Log P: 4.8376603
• Molar Refractivity: 70.9086 cm^3
• Polarizability: 28.896841 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-42°C
• Boiling Point: 126-130°C/4mm

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: 9-20-26-36/37/39-45-60
• 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%; 98+%