chloromethanesulfonyl chloride

• ChemBase ID: 21382
• Molecular Formular: CH2Cl2O2S
• Molecular Mass: 148.99638
• Monoisotopic Mass: 147.91525566
• SMILES: C(S(=O)(=O)Cl)Cl
• Canonical SMILES: ClCS(=O)(=O)Cl
• InChI: InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2
• InChIKey: KQDDQXNVESLJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloromethanesulfonyl chloride
• IUPAC Traditional name: chloromethanesulfonyl chloride
• Synonyms: Chloromethanesulfonyl chloride; Chloromethanesulfonyl chloride; Chloromesyl chloride; Chloromethanesulphonyl chloride; 氯甲磺酰氯; 氯甲烷磺酰氯; 氯甲磺酰氯

Database IDs

• CAS Number: 3518-65-8
• EC Number: 222-526-1
• MDL Number: MFCD00014727
• Beilstein Number: 1811761
• PubChem SID: 24889895; 160984689
• PubChem CID: 77054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5783928
• LogD (pH = 7.4): 0.5783928
• Log P: 0.5783928
• Molar Refractivity: 24.8142 cm^3
• Polarizability: 10.831004 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 175°C; 78-81°C/20mm; 80-81°C/25mm
• Density: 1.64 g/mL at 20 °C(lit.); 1.67
• Hydrophobicity(logP): -1.22

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon; Moisture Sensitive; TOXIC, CORROSIVE
• RTECS: PB2800000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥90% (AT); 95%; 98%
• Grade: technical
• Linear Formula: ClCH2SO2Cl

DETAILS

Sigma Aldrich - 93479

Packaging
5 g in glass bottle