Description

2-Nitrophenyl phenyl sulfide (CAS No. 4171-83-9) is a high-purity organic compound with the molecular formula C₁₂H₉NO₂S and IUPAC name 1-nitro-2-phenylsulfanylbenzene. This yellow to light brown crystalline solid is a valuable sulfur-containing aromatic compound widely used in organic synthesis, pharmaceuticals, and materials science research. With a molecular weight of 231.27 g/mol, it serves as a versatile building block for heterocyclic compounds and functional materials. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied in sealed containers under inert atmosphere to guarantee stability. Ideal for researchers exploring nucleophilic aromatic substitution reactions, cross-coupling methodologies, or nonlinear optical materials development.

Properties

• CAS Number: 4171-83-9
• Complexity: 236
• IUPAC Name: 1-nitro-2-phenylsulfanyl-benzene
• InChI: InChI=1S/C12H9NO2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
• InChI Key: ZPWNCSAEXUDWTN-UHFFFAOYSA-N
• Exact Mass: 231.03539970
• Molecular Formula: C12H9NO2S
• Molecular Weight: 231.27
• SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]
• Topological: 71.1
• Monoisotopic Mass: 231.03539970
• Synonyms: 2-Nitrophenyl phenyl sulfide, 1-nitro-2-phenylsulfanylbenzene, DTXSID10324941, DTXCID70276058, 609-953-2, 4171-83-9, 2-Nitrodiphenyl sulfide, 1-nitro-2-(phenylsulfanyl)benzene, (2-nitrophenyl)(phenyl)sulfane, 1-Nitro-2-(phenylthio)benzene, Benzene, 1-nitro-2-(phenylthio)-, o-Nitrophenyl phenyl sulfide, Sulfide, o-nitrophenyl phenyl, 1-nitro-2-phenylsulfanyl-benzene, NSC633005, NSC 408025, NSC-408025, NSC-633005, 2-Nitrodiphenylsulfide, 2-Nitro diphenyl sulfide, 2-Nitrodiphenyl thioether, MFCD00100508, 2NO2Ph-S-Ph, 1-nitro-2-phenylthiobenzene, J697B8MMC8, SCHEMBL1713219, SCHEMBL3506549, SCHEMBL4845838, SCHEMBL11180262, SCHEMBL11180264, SCHEMBL16372671, (2-nitro-phenyl)-phenyl sulfide, ZPWNCSAEXUDWTN-UHFFFAOYSA-N, 2-Nitrophenyl phenyl sulfide, 97%, NSC408025, AKOS005067529, Hydroxy(2-(phenylthio)phenyl)azane oxide, AC-11155, AS-59383, DB-050798, N0744, NS00127303, ST51038433, D91770, EN300-7414759, A825635, Z31211142

Application

2-Nitrophenyl phenyl sulfide finds application as a key intermediate in the synthesis of pharmaceutical compounds and specialty chemicals. Researchers utilize this compound in studies of sulfur-containing aromatic systems and their electronic properties. The nitro and sulfide functional groups make it valuable for investigating charge-transfer complexes and as a precursor for more complex heterocyclic structures. It has shown utility in materials science for developing organic electronic components due to its conjugated system.

Safety and Hazards

GHS Hazard Statements

• H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (13.3%)
• Skin Irrit. 2 (97.8%)
• Eye Irrit. 2 (91.1%)
• STOT SE 3 (91.1%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.