methanesulfonylmethanesulfonyl chloride

• ChemBase ID: 10364
• Molecular Formular: C2H5ClO4S2
• Molecular Mass: 192.6417
• Monoisotopic Mass: 191.93177832
• SMILES: S(=O)(=O)(C)CS(=O)(=O)Cl
• Canonical SMILES: CS(=O)(=O)CS(=O)(=O)Cl
• InChI: InChI=1S/C2H5ClO4S2/c1-8(4,5)2-9(3,6)7/h2H2,1H3
• InChIKey: DQDYGBSUPOHHMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanesulfonylmethanesulfonyl chloride
• IUPAC Traditional name: methanesulfonylmethanesulfonyl chloride
• Synonyms: (Methylsulphonyl)methanesulphonyl chloride; (Methanesulfonyl)methanesulfonyl chloride; (Methylsulfonyl)methanesulfonyl chloride; Methylsulfonylmethylsulfonyl chloride; (甲基磺酰) 甲烷磺酰氯

Database IDs

• CAS Number: 22317-89-1
• MDL Number: MFCD00052809
• PubChem SID: 160973671
• PubChem CID: 556269

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1020261
• LogD (pH = 7.4): -1.1020261
• Log P: -1.1020261
• Molar Refractivity: 33.5383 cm^3
• Polarizability: 15.029964 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110°C; 110°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Hygroscopic/Store under Argon; Moisture Sensitive & Hygroscopic; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 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: 97%; 98%