4-(4-chlorobenzenesulfonyl)morpholine

• ChemBase ID: 299068
• Molecular Formular: C10H12ClNO3S
• Molecular Mass: 261.72518
• Monoisotopic Mass: 261.02264193
• SMILES: c1cc(ccc1S(=O)(=O)N1CCOCC1)Cl
• Canonical SMILES: Clc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H12ClNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
• InChIKey: DSDGQZJWZACMPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorobenzenesulfonyl)morpholine
• IUPAC Traditional name: 4-(4-chlorobenzenesulfonyl)morpholine
• Synonyms: 4-(4-Chlorophenylsulfonyl)morpholine

Database IDs

• CAS Number: 22771-99-9
• MDL Number: MFCD00194752
• PubChem SID: 180684599
• PubChem CID: 255686

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4121729
• LogD (pH = 7.4): 1.4121729
• Log P: 1.4121729
• Molar Refractivity: 61.8886 cm^3
• Polarizability: 24.892902 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%