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CAS 103-72-0

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Phenyl isothiocyanate

Description:
Phenyl isothiocyanate (CAS 103-72-0) is an organic compound characterized by the presence of an isothiocyanate functional group attached to a phenyl ring. It is a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard oil, due to its structural similarity to mustard oil components. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, where it can form thioureas and other derivatives. Phenyl isothiocyanate is soluble in organic solvents such as ethanol and ether but has limited solubility in water. It is used in various applications, including as a reagent in organic synthesis, in the study of biological processes, and in the development of certain pharmaceuticals. Additionally, it has been investigated for its potential role in cancer research due to its ability to induce apoptosis in certain cancer cell lines. However, it is important to handle this compound with care, as it can be irritating to the skin, eyes, and respiratory system.
Formula:C7H5NS
InChI:InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChI key:InChIKey=QKFJKGMPGYROCL-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC=CC=C1
Synonyms:
  • 4-[(Isothiocyanato)methyl]benzoic acid
  • Benzene isothiocyanate
  • Isothiocyanate de phenyle
  • Isothiocyanate, Phenyl
  • Isothiocyanato benzene
  • Isothiocyanatobenzene
  • Isothiocyanic acid, phenyl ester
  • Isotiocianato De Fenilo
  • Nsc 5583
  • Phenyl Isothiocyanate
  • See more synonyms
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