CAS 10531-13-2
:Cyanomethyl benzenesulfonate
Description:
Cyanomethyl benzenesulfonate, with the CAS number 10531-13-2, is an organic compound characterized by the presence of both a cyanomethyl group and a benzenesulfonate moiety. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the sulfonate group, which enhances the electrophilicity of the attached carbon. Cyanomethyl benzenesulfonate is often utilized in organic synthesis as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its solubility in polar organic solvents makes it suitable for a range of chemical reactions. However, handling this compound requires caution, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken. Overall, its unique structure and reactivity profile make it a valuable compound in synthetic organic chemistry.
Formula:C8H7NO3S
InChI:InChI=1S/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2
InChI key:InChIKey=SSOVHFPWMPUQOS-UHFFFAOYSA-N
SMILES:S(OCC#N)(=O)(=O)C1=CC=CC=C1
Synonyms:- Acetonitrile, 2-[(phenylsulfonyl)oxy]-
- 2-[(Phenylsulfonyl)oxy]acetonitrile
- Glycolonitrile, benzenesulfonate
- Glycolonitrile, benzenesulfonate (ester)
- Acetonitrile, [(phenylsulfonyl)oxy]-
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