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CAS 17402-80-1

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3-Nitrobenzo[b]thiophene

Description:
3-Nitrobenzo[b]thiophene is an organic compound characterized by a fused ring system that includes a thiophene ring and a benzene ring, with a nitro group (-NO2) positioned at the 3-position of the benzo[b]thiophene structure. This compound typically exhibits a yellow to orange color and is known for its aromatic properties, which contribute to its stability and reactivity. The presence of the nitro group introduces electron-withdrawing characteristics, influencing the compound's reactivity in electrophilic substitution reactions. 3-Nitrobenzo[b]thiophene is often utilized in organic synthesis and materials science, particularly in the development of organic semiconductors and dyes. Its solubility is generally moderate in organic solvents, and it may exhibit fluorescence properties, making it of interest in various applications, including photonic devices. Safety data should be consulted, as nitro compounds can pose health risks, and appropriate handling and disposal measures should be observed.
Formula:C8H5NO2S
InChI:InChI=1S/C8H5NO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
InChI key:InChIKey=PIZRWAZBFNMVMW-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C=2C(SC1)=CC=CC2
Synonyms:
  • Benzo[b]thiophene, 3-nitro-
  • 3-Nitrobenzo[b]thiophene
  • NSC 48511
  • 3-Nitrobenzothiophene
  • NSC 3747
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