12620

Benzenesulfonyl chloride

for HPLC derivatization

• Linear Formula: C₆H₅SO₂Cl
• CAS Number: 98-09-9
• Molecular Weight: 176.62
• Beilstein: 606926
• EC Number: 202-636-6
• MDL number: MFCD00007426
• UNSPSC Code: 12352100
• PubChem Substance ID: 329749775
• NACRES: NA.22

Properties

• grade: for HPLC derivatization
• Quality Level: 100
• vapor pressure: 0.04 mmHg ( 20 °C)
• Assay: ≥99.0% (AT)
• form: liquid
• refractive index: n20/D 1.551 (lit.); n20/D 1.551
• bp: 251-252 °C (lit.)
• mp: 13-15 °C (lit.)
• solubility: alcohol: soluble; cold water: insoluble; diethyl ether: soluble
• density: 1.384 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• SMILES string: ClS(=O)(=O)c1ccccc1
• InChI: 1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChI key: CSKNSYBAZOQPLR-UHFFFAOYSA-N

Description

General description

Benzenesulfonyl chloride reacts with Grignard reagent from N-unsubstituted indoles to form oxindoles or substituted indoles.

Application

Benzenesulfonyl chloride was used in one-pot synthesis of dialkyl 1-arylsulfonyl-1,2-dihydroquinoline-2,3-dicarboxylates. It was used as derivatization reagent for the determination of various amines in waste water at the sub-ppb level by gas chromatography-mass spectrometry.

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Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H314
• Precautionary Statements: P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 1
• Flash Point(F): 260.6 °F
• Flash Point(C): 127 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves