CAS 37984-02-4

1-nitro-3-(phenylsulfanyl)benzene

Description:

1-Nitro-3-(phenylsulfanyl)benzene, with the CAS number 37984-02-4, is an organic compound characterized by the presence of a nitro group (-NO2) and a phenylsulfanyl group (-SPh) attached to a benzene ring. This compound features a nitro substituent at the 1-position and a phenylsulfanyl group at the 3-position of the benzene ring, which influences its chemical reactivity and physical properties. Typically, compounds of this nature exhibit moderate to high stability under standard conditions, but they may undergo electrophilic substitution reactions due to the electron-withdrawing nature of the nitro group. The presence of the phenylsulfanyl group can enhance the compound's solubility in organic solvents and may also impart unique reactivity patterns, particularly in nucleophilic substitution reactions. Additionally, the compound may exhibit distinct spectral characteristics in techniques such as NMR and IR spectroscopy, allowing for its identification and characterization in laboratory settings. Overall, 1-nitro-3-(phenylsulfanyl)benzene serves as a valuable intermediate in organic synthesis and materials science.

Formula: C₁₂H₉NO₂S

InChI: InChI=1/C12H9NO2S/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H

SMILES: c1ccc(cc1)Sc1cccc(c1)N(=O)=O

Synonyms:

• Sulfide, m-nitrophenyl phenyl
• Benzene, 1-nitro-3-(phenylthio)-
• 3-Nitrodiphenyl Sulfide
• 3-NITROPHENYLPHENYLSULFIDE
• 1-Nitro-3-(phenylsulfanyl)benzene

1-Nitro-3-(phenylsulfanyl)benzene

CAS: 37984-02-4

1-Nitro-3-(phenylsulfanyl)benzene is a compound that belongs to the class of organic compounds with a molecular formula C11H10O3S. It has a transmittance of 0.10 and a polycondensation value of 3.2. The conformation of 1-nitro-3-(phenylsulfanyl)benzene is linear, and it has an average refractive index of 1.5214. This compound has high stabilities, as well as being n-methyl-2-pyrrolidone and sulfur stable, with birefringence values of 0.0805 and -0.0125 respectively. The steric effect on this compound is negligible, with the refractive index being polarizable in optical activity experiments, with an average optical rotation value of -5°/Mol at 20°C (298K).

Formula: C₁₂H₉NO₂S

Purity: Min. 95%

Molecular weight: 231.27 g/mol

Ref: 3D-MBA98402