Benzenesulfonyl chloride (C6H5ClO2S)

Benzenesulfonyl Chloride (C6H5ClO2S; CAS 98-09-9) is a practical retrosynthesis target. Benzenesulfonyl Chloride presents a C6 framework, aromatic rings, halogen substitution. Open AI route search in one click below.

Target: Benzenesulfonyl chloride
CAS: 98-09-9
Formula: C6H5ClO2S
Approx. MW: 176.61
SMILES: O=S(=O)(Cl)c1ccccc1
PubChem CID: 7369
Approx. carbons: C6

Benzenesulfonyl chloride structure

Properties

IUPAC name: benzenesulfonyl chloride
Common names: BENZENESULFONYL CHLORIDE; 98-09-9; Phenylsulfonyl chloride; Benzene sulfochloride; Benzenesulfonic chloride; Benzene sulfonechloride; Benzenosulfochloride; Benzenesulphonyl chloride; Benzenosulfochlorek; BENZENE SULFONYL CHLORIDE
Molecular weight: 176.62
Exact mass: 175.97
InChIKey: CSKNSYBAZOQPLR-UHFFFAOYSA-N
Melting point: 58.1 °F (USCG, 1999)
Boiling point: 484.7 °F at 760 mmHg (USCG, 1999)
Density: 1.3842 at 59 °F (USCG, 1999) - Denser than water; will sink

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Benzenesulfonyl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzenesulfonyl chloride?

Benzenesulfonyl chloride has molecular formula C6H5ClO2S. Molecular weight about 176.61 g·mol⁻¹.

What is the CAS number of Benzenesulfonyl chloride?

The CAS Registry Number for Benzenesulfonyl chloride is 98-09-9.

Run AI retrosynthesis for Benzenesulfonyl chloride Target catalog AI tools overview

Open the planner with Benzenesulfonyl chloride preloaded, then keep routes that match CAS 98-09-9.

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.