CAS 78940-73-5

2-[(4-chlorophenyl)thio]-5-nitrobenzonitrile

Description:

2-[(4-Chlorophenyl)thio]-5-nitrobenzonitrile, with the CAS number 78940-73-5, is an organic compound characterized by its complex structure, which includes a nitro group, a benzonitrile moiety, and a thioether linkage. This compound typically appears as a solid at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its unique chemical properties. The presence of the nitro group contributes to its reactivity, making it a candidate for various chemical transformations. The chlorophenyl group enhances its lipophilicity, which can influence its biological activity and solubility in organic solvents. Additionally, the thioether functionality can participate in nucleophilic substitution reactions, further expanding its utility in synthetic chemistry. Safety data should be consulted for handling, as compounds of this nature may pose health risks or environmental hazards. Overall, 2-[(4-chlorophenyl)thio]-5-nitrobenzonitrile is a significant compound in the realm of organic synthesis and medicinal chemistry.

Formula: C₁₃H₇ClN₂O₂S

InChI: InChI=1/C13H7ClN2O2S/c14-10-1-4-12(5-2-10)19-13-6-3-11(16(17)18)7-9(13)8-15/h1-7H

SMILES: c1cc(ccc1Cl)Sc1ccc(cc1C#N)N(=O)=O

Synonyms:

• 2-[(4-Chlorophenyl)Sulfanyl]-5-Nitrobenzonitrile

2-[(4-Chlorophenyl)thio]-5-nitrobenzonitrile

CAS: 78940-73-5

2-[(4-Chlorophenyl)thio]-5-nitrobenzonitrile

Purity: ≥95%

Molecular weight: 290.72g/mol

Ref: 54-OR21637