CAS 71215-88-8

Thiocyanic acid, 4-methyl-2-nitrophenyl ester

Description:

Thiocyanic acid, 4-methyl-2-nitrophenyl ester, also known by its CAS number 71215-88-8, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) attached to a phenolic structure. This compound features a 4-methyl-2-nitrophenyl moiety, which contributes to its chemical properties and reactivity. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the nitro group introduces significant polarity and can influence the compound's solubility in various solvents, often making it more soluble in polar organic solvents. Thiocyanic acid esters are known for their potential applications in organic synthesis, particularly in the formation of thiocyanate derivatives. Additionally, the compound may exhibit biological activity, which can be of interest in medicinal chemistry. However, handling such compounds requires caution due to potential toxicity and reactivity, necessitating appropriate safety measures in laboratory settings.

Formula: C₈H₆N₂O₂S

InChI: InChI=1S/C8H6N2O2S/c1-6-2-3-8(13-5-9)7(4-6)10(11)12/h2-4H,1H3

InChI key: InChIKey=FOUCYKKDWSELGL-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(SC#N)C=CC(C)=C1

Synonyms:

• (4-Methyl-2-nitrophenyl) thiocyanate
• Thiocyanic acid, 4-methyl-2-nitrophenyl ester
• thiocyanic acid, 4-methyl-2-nitrophenyl ester
• 3-Nitro-4-(thiocyanato)toluene
• 4-Methyl-2-nitrophenylthiocyanate