CAS 1132-69-0

O-(4-Nitrophenyl) carbonochloridothioate

Description:

O-(4-Nitrophenyl) carbonochloridothioate, with the CAS number 1132-69-0, is a chemical compound characterized by its functional groups and structural features. It is an organosulfur compound that contains a thioate moiety, which is a sulfur-containing ester derived from a carboxylic acid. The presence of the 4-nitrophenyl group indicates that it has a nitro substituent on the aromatic ring, contributing to its reactivity and potential applications in organic synthesis. This compound is typically used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the electrophilic nature of the carbonyl carbon and the leaving ability of the chloride ion, making it useful in nucleophilic substitution reactions. Additionally, the nitro group can participate in further chemical transformations, enhancing its utility in synthetic chemistry. Safety precautions should be observed when handling this compound, as it may pose health risks due to its reactive nature and potential toxicity.

Formula: C₇H₄ClNO₃S

InChI: InChI=1S/C7H4ClNO3S/c8-7(13)12-6-3-1-5(2-4-6)9(10)11/h1-4H

InChI key: InChIKey=UHQPEESVLYUICU-UHFFFAOYSA-N

SMILES: O(C(Cl)=S)C1=CC=C(N(=O)=O)C=C1

Synonyms:

• 4-Nitrophenyl Chlorothioformate
• 4-Nitrophenyl chlorothionoformate
• Carbonochloridothioic acid, O-(4-nitrophenyl) ester
• Formic acid, chlorothio-, O-(p-nitrophenyl) ester
• NSC 171716
• p-Nitrophenyl chlorothionoformate
• O-(4-Nitrophenyl) carbonochloridothioate