CAS 17614-74-3

4-Methyl-2-nitrophenyl isothiocyanate

Description:

4-Methyl-2-nitrophenyl isothiocyanate is an organic compound characterized by the presence of both isothiocyanate and nitro functional groups attached to a phenyl ring. Its molecular structure features a methyl group and a nitro group positioned on the aromatic ring, which influences its reactivity and properties. This compound typically appears as a yellow to orange solid and is known for its pungent odor, characteristic of isothiocyanates. It is soluble in organic solvents but has limited solubility in water. 4-Methyl-2-nitrophenyl isothiocyanate is primarily used in chemical synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in various chemical reactions, including nucleophilic substitutions. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. As with many isothiocyanates, it is important to handle this compound with care, as it may pose health risks upon exposure. Proper safety protocols should be followed when working with this substance in a laboratory setting.

Formula: C₈H₆N₂O₂S

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

SMILES: Cc1ccc(c(c1)N(=O)=O)N=C=S

Synonyms:

• 1-Isothiocyanato-4-Methyl-2-Nitrobenzene
• 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE 97%
• 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE

4-Methyl-2-nitrophenyl isothiocyanate

CAS: 17614-74-3

Formula: C₈H₆N₂O₂S

Purity: 95%

Color and Shape: Solid

Molecular weight: 194.2104

Ref: IN-DA003LQ8

4-Methyl-2-nitrophenyl isothiocyanate

CAS: 17614-74-3

Formula: C₈H₆N₂O₂S

Molecular weight: 194.21

Ref: 10-F009540