4-Chlorobenzenesulfonic Acid (C6H5ClO3S)

4-Chlorobenzenesulfonic Acid presents a C6 framework, aromatic rings, halogen substitution (formula C6H5ClO3S, CAS 98-66-8). ChemicalHelper Reaction can propose ranked disconnections for 4-Chlorobenzenesulfonic Acid from the SMILES O=S(=O)(O)c1ccc(Cl)cc1.

Target: 4-Chlorobenzenesulfonic Acid
CAS: 98-66-8
Formula: C6H5ClO3S
Approx. MW: 192.61
SMILES: O=S(=O)(O)c1ccc(Cl)cc1
PubChem CID: 7400
Approx. carbons: C6

4-Chlorobenzenesulfonic Acid structure

Properties

IUPAC name: 4-chlorobenzenesulfonic acid
Common names: 4-CHLOROBENZENESULFONIC ACID; 98-66-8; p-Chlorobenzenesulfonic acid; Benzenesulfonic acid, 4-chloro-; 4-Chlorobenzenesulphonic acid; p-Chlorophenylsulfonic acid; Benzenesulfonic acid, p-chloro-; DTXSID7044473; EINECS 202-690-0; BRN 2209486
Molecular weight: 192.62
Exact mass: 191.96
InChIKey: RJWBTWIBUIGANW-UHFFFAOYSA-N
Melting point: 67 °C

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4-Chlorobenzenesulfonic Acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Chlorobenzenesulfonic Acid?

4-Chlorobenzenesulfonic Acid has molecular formula C6H5ClO3S. Molecular weight about 192.61 g·mol⁻¹.

What is the CAS number of 4-Chlorobenzenesulfonic Acid?

The CAS Registry Number for 4-Chlorobenzenesulfonic Acid is 98-66-8.

Run AI retrosynthesis for 4-Chlorobenzenesulfonic Acid Target catalog AI tools overview

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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.