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CAS 132740-44-4

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1-Fluoro-2-(isocyanatomethyl)benzene

Description:
1-Fluoro-2-(isocyanatomethyl)benzene, with the CAS number 132740-44-4, is an organic compound characterized by the presence of a fluorine atom and an isocyanatomethyl group attached to a benzene ring. This compound features a fluorobenzene structure, where the fluorine substituent is positioned at the first carbon and the isocyanatomethyl group is located at the second carbon of the aromatic ring. The isocyanate functional group (-N=C=O) is known for its reactivity, particularly in forming urethanes and other derivatives through nucleophilic addition reactions. The presence of the fluorine atom can influence the compound's physical and chemical properties, such as its polarity, reactivity, and solubility in various solvents. Additionally, the compound may exhibit unique biological activities, making it of interest in medicinal chemistry and materials science. Safety precautions should be taken when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation.
Formula:C8H6FNO
InChI:InChI=1S/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI key:InChIKey=UKESSRSRKDVNBC-UHFFFAOYSA-N
SMILES:C(N=C=O)C1=C(F)C=CC=C1
Synonyms:
  • 1-Fluoro-2-(isocyanatomethyl)benzene
  • Benzene, 1-Fluoro-2-(Isocyanatomethyl)-
  • 2-Fluorobenzyl isocyanate
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