CAS 22057-45-0

4-Chloro-2-nitro-1-[(phenylmethyl)thio]benzene

Description:

4-Chloro-2-nitro-1-[(phenylmethyl)thio]benzene, with the CAS number 22057-45-0, is an organic compound characterized by the presence of a chloro group, a nitro group, and a thioether functional group attached to a benzene ring. This compound features a chlorinated aromatic system, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The nitro group is known for its electron-withdrawing properties, which can influence the compound's reactivity and stability. The thioether moiety, derived from phenylmethyl, adds to the compound's unique properties, potentially enhancing its lipophilicity and biological activity. In terms of physical properties, it is typically a solid at room temperature, with solubility in organic solvents. Safety and handling precautions are essential due to the presence of the nitro and chloro groups, which may pose health risks. Overall, this compound's structural features suggest potential utility in synthetic chemistry and material science.

Formula: C₁₃H₁₀ClNO₂S

InChI: InChI=1S/C13H10ClNO2S/c14-11-6-7-13(12(8-11)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2

InChI key: InChIKey=SQCOCAUVBVCDBO-UHFFFAOYSA-N

SMILES: S(CC1=CC=CC=C1)C2=C(N(=O)=O)C=C(Cl)C=C2

Synonyms:

• Benzene, 4-chloro-2-nitro-1-[(phenylmethyl)thio]-
• 4-Chloro-2-nitro-1-[(phenylmethyl)thio]benzene
• Sulfide, benzyl 4-chloro-2-nitrophenyl

4-Chloro-2-nitro-1-(phenylmethylthio)benzene

CAS: 22057-45-0

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Formula: C₁₃H₁₀ClNO₂S

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 279.74 g/mol

Ref: 3D-FC169069