piperidine-1-sulfonyl chloride

• ChemBase ID: 19227
• Molecular Formular: C5H10ClNO2S
• Molecular Mass: 183.6564
• Monoisotopic Mass: 183.01207725
• SMILES: S(=O)(=O)(N1CCCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C5H10ClNO2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2
• InChIKey: QQJYAXDCMMXECR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-sulfonyl chloride
• IUPAC Traditional name: piperidine-1-sulfonyl chloride
• Synonyms: Piperidine-1-sulfonyl chloride; Piperidine-1-sulfonyl chloride; 哌啶-1-磺酰氯

Database IDs

• CAS Number: 35856-62-3
• MDL Number: MFCD03250329
• PubChem SID: 160982534
• PubChem CID: 11298344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6466866
• LogD (pH = 7.4): 0.6466866
• Log P: 0.6466866
• Molar Refractivity: 40.8133 cm^3
• Polarizability: 16.548586 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.308
• Refractive Index: 1.4920
• Hydrophobicity(logP): 0.96

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45-60
• TSCA Listed: false; 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%; 97%