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CAS 2799-72-6

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1-chloro-3-isothiocyanatopropane

Description:
1-Chloro-3-isothiocyanatopropane, with the CAS number 2799-72-6, is an organic compound characterized by the presence of both a chloro group and an isothiocyanate functional group. It has a three-carbon alkyl chain, making it a member of the alkyl isothiocyanate family. The compound is typically a colorless to pale yellow liquid with a pungent odor, characteristic of isothiocyanates. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chain. The presence of the isothiocyanate group imparts biological activity, often exhibiting antimicrobial and anticancer properties. Additionally, 1-chloro-3-isothiocyanatopropane can participate in nucleophilic substitution reactions due to the electrophilic nature of the chloro group, making it a useful intermediate in organic synthesis. Safety precautions are necessary when handling this compound, as it can be irritating to the skin, eyes, and respiratory system. Proper storage in a cool, dry place away from incompatible materials is also recommended to maintain its stability.
Formula:C4H6ClNS
InChI:InChI=1/C4H6ClNS/c5-2-1-3-6-4-7/h1-3H2
SMILES:C(CCl)CN=C=S
Synonyms:
  • Propane, 1-chloro-3-isothiocyanato-
  • 1-Chloro-3-isothiocyanatopropane
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