1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, dimethyl ester

dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate

CAS: 72076-50-7

Molecular Formula	`C11H9NO4S`
Molecular Weight	251.26 g/mol

Chemical Identifiers

CAS Number	72076-50-7
SMILES	`COC(=O)C1=CC(=CC(=C1)N=C=S)C(=O)OC`
InChIKey	`SEFVBTNZOHDLLS-UHFFFAOYSA-N`

📖 Product Overview

1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, dimethyl ester (CAS: 72076-50-7) is a chemical compound with molecular formula C11H9NO4S and molecular weight 251.26 g/mol. Its IUPAC systematic name is dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate. InChI Key: SEFVBTNZOHDLLS-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC(=CC(=C1)N=C=S)C(=O)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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