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CAS 13287-49-5

:

(4-Nitrophenyl)methyl thiocyanate

Description:
(4-Nitrophenyl)methyl thiocyanate, with the CAS number 13287-49-5, is an organic compound characterized by the presence of a thiocyanate functional group attached to a methyl group, which is further linked to a para-nitrophenyl moiety. This compound typically appears as a yellow to orange crystalline solid, reflecting the presence of the nitro group, which contributes to its color and reactivity. It is known for its moderate solubility in organic solvents, such as acetone and ethanol, while being less soluble in water. The presence of the nitro group imparts electrophilic characteristics, making it a useful intermediate in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Additionally, (4-Nitrophenyl)methyl thiocyanate may exhibit biological activity, which can be explored for potential applications in medicinal chemistry. As with many thiocyanate derivatives, it is important to handle this compound with care due to potential toxicity and environmental considerations.
Formula:C8H6N2O2S
InChI:InChI=1S/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChI key:InChIKey=NUMYTLIHYKESKM-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC=C(CSC#N)C=C1
Synonyms:
  • (4-Nitrophenyl)methyl thiocyanate
  • 1-Nitro-4-(thiocyanatomethyl)benzene
  • 4-Nitrobenzylthiocyanate
  • Nsc 56364
  • Thiocyanic acid, (4-nitrophenyl)methyl ester
  • Thiocyanic acid, (4-nitrophenyl)methyl ester (9CI)
  • Thiocyanic acid, (p-nitrobenzyl) ester
  • Thiocyanic acid, 4-nitrobenzyl ester
  • Toluene, p-nitro-α-thiocyanato-
  • p-Nitrobenzyl thiocyanate
  • 4-Nitrobenzyl thiocyanate
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