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Atomfair Benzene, 1-(methylthio)-4-nitro- 4-Nitrothioanisole C7H7NO2S CAS 701-57-5

1-Methylsulfanyl-4-nitrobenzene (CAS 701-57-5) is a high-purity aromatic sulfide compound with the molecular formula C7H7NO2S. This yellow crystalline solid is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive nitro and methylthio functional groups. With a molecular weight of 169.20 g/mol, it offers excellent solubility in common organic solvents such as ethanol, acetone, and dichloromethane. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers under inert gas to prevent degradation. Ideal for nucleophilic substitution reactions, cross-coupling protocols, and as a building block for advanced heterocyclic systems. Available in quantities…

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Description

1-Methylsulfanyl-4-nitrobenzene (CAS 701-57-5) is a high-purity aromatic sulfide compound with the molecular formula C7H7NO2S. This yellow crystalline solid is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive nitro and methylthio functional groups. With a molecular weight of 169.20 g/mol, it offers excellent solubility in common organic solvents such as ethanol, acetone, and dichloromethane. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers under inert gas to prevent degradation. Ideal for nucleophilic substitution reactions, cross-coupling protocols, and as a building block for advanced heterocyclic systems. Available in quantities from 1g to 1kg with optional COA/MSDS documentation.

Properties

  • CAS Number: 701-57-5
  • Complexity: 138
  • IUPAC Name: 1-methylsulfanyl-4-nitro-benzene
  • InChI: InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
  • InChI Key: NEZGPRYOJVPJKL-UHFFFAOYSA-N
  • Exact Mass: 169.01974964
  • Molecular Formula: C7H7NO2S
  • Molecular Weight: 169.20
  • SMILES: CSC1=CC=C(C=C1)[N+](=O)[O-]
  • Topological: 71.1
  • Monoisotopic Mass: 169.01974964
  • Synonyms: 4-Nitrothioanisole, 701-57-5, 1-(Methylthio)-4-nitrobenzene, Benzene, 1-(methylthio)-4-nitro-, NSC 53158, NSC 525300, DTXSID10220378, DTXCID10142869, 677-868-8, inchi=1/c7h7no2s/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5h,1h, 1-(Methylsulfanyl)-4-nitrobenzene, 1-methylsulfanyl-4-nitrobenzene, methyl(4-nitrophenyl)sulfane, Methyl 4-nitrophenyl sulphide, P24FB793DH, NSC-53158, NSC-525300, Methyl 4-nitrophenyl sulfide, 1-methylsulfanyl-4-nitro-benzene, MFCD00010868, 4-Nitrothioanisole, 96%, methyl p-nitrophenyl sulfide, 1-methylthio-4-nitrobenzene, 4-methylthio-1-nitrobenzene, 4-nitrophenyl methyl sulfide, UNII-P24FB793DH, 4-Methylmercapto-nitrobenzene, SCHEMBL514482, SCHEMBL514483, CHEMBL459036, SCHEMBL6963075, SCHEMBL10518198, 1-methylsulphanyl-4-nitrobenzene, methyl-(4-nitro-phenyl)-sulfide, 1-methylsulphanyl-4-nitro-benzene, NSC53158, NSC525300, SBB068783, 1-(Methylsulfanyl)-4-nitrobenzene #, AKOS003235665, CS-W010788, PS-3200, AC-11084, DB-055384, N0761, ST50407133, D84262, Q27452721

Application

1-Methylsulfanyl-4-nitrobenzene serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and liquid crystals. The compound’s electron-withdrawing nitro group facilitates aromatic nucleophilic substitution reactions, making it valuable for creating thioether derivatives. Researchers employ it in Suzuki-Miyaura cross-coupling reactions to construct biaryl systems for functional materials. Its unique structure also finds use in developing photoactive compounds and nonlinear optical materials.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

  • P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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