dichloromethanesulfonyl chloride

• ChemBase ID: 303935
• Molecular Formular: CHCl3O2S
• Molecular Mass: 183.44144
• Monoisotopic Mass: 181.87628331
• SMILES: C(S(=O)(=O)Cl)(Cl)Cl
• Canonical SMILES: ClC(S(=O)(=O)Cl)Cl
• InChI: InChI=1S/CHCl3O2S/c2-1(3)7(4,5)6/h1H
• InChIKey: ZTCPYHGKJGSSPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloromethanesulfonyl chloride
• IUPAC Traditional name: dichloromethanesulfonyl chloride
• Synonyms: Dichloromethylsulfonyl chloride; Dichloromethanesulfonyl chloride; 二氯甲磺酰氯

Database IDs

• CAS Number: 41197-29-9
• EC Number: 255-254-7
• MDL Number: MFCD00014726
• Beilstein Number: 1811946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2704384
• LogD (pH = 7.4): 2.2704384
• Log P: 2.2704384
• Molar Refractivity: 30.3418 cm^3
• Polarizability: 12.818718 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-62°C/9mm
• Refractive Index: 1.4970

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN2922
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 23-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H330-H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A

Product Information

• Purity: 95%