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CAS 592-82-5

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Butyl isothiocyanate

Description:
Butyl isothiocyanate, with the CAS number 592-82-5, is an organic compound characterized by its isothiocyanate functional group attached to a butyl chain. It is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among isothiocyanates. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, and can act as a potent electrophile. Butyl isothiocyanate is soluble in organic solvents but has limited solubility in water. It is primarily used in the synthesis of various chemical compounds and has applications in the agricultural sector as a pesticide and herbicide due to its bioactive properties. Additionally, it has been studied for its potential health benefits, including antimicrobial and anticancer activities. However, like many isothiocyanates, it can be irritating to the skin and respiratory system, necessitating proper handling and safety precautions during use.
Formula:C5H9NS
InChI:InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChI key:InChIKey=LIMQQADUEULBSO-UHFFFAOYSA-N
SMILES:C(CCC)N=C=S
Synonyms:
  • 1-Isothiocyanatobutane
  • Ai3-18424
  • Butane, 1-isothiocyanato-
  • Butyl mustard oil
  • Einecs 209-770-4
  • Isothiocyanic acid, butyl ester
  • Nsc 194808
  • n-Butyl isothiocyanate
  • Butyl isothiocyanate
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