Description

4-Nitrothiophenol (CAS No. 1849-36-1) is a high-purity organic compound with the molecular formula C₆H₅NO₂S, widely utilized in chemical research and industrial applications. This yellow crystalline solid, also known as 4-nitrobenzenethiol, is a derivative of thiophenol featuring a nitro group at the para position, enhancing its reactivity and utility in synthesis. With a molecular weight of 155.17 g/mol, it is soluble in organic solvents such as ethanol, ether, and acetone but exhibits limited solubility in water. Ideal for use as a reagent in organic synthesis, surface modification, and material science, our 4-Nitrothiophenol is rigorously tested for purity and consistency, ensuring reliable performance in sensitive applications. Packaged under inert conditions to maintain stability, this product is a must-have for researchers and chemists working on advanced molecular architectures, self-assembled monolayers (SAMs), and catalysis.

Properties

• CAS Number: 1849-36-1
• Complexity: 126
• IUPAC Name: 4-nitrobenzenethiol
• InChI: InChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H
• InChI Key: AXBVSRMHOPMXBA-UHFFFAOYSA-N
• Exact Mass: 155.00409958
• Molecular Formula: C6H5NO2S
• Molecular Weight: 155.18
• SMILES: C1=CC(=CC=C1[N+](=O)[O-])S
• Topological: 46.8
• Monoisotopic Mass: 155.00409958
• Physical Description: Solid with a stench;
• Synonyms: 4-Nitrothiophenol, 4-Nitrobenzenethiol, 1849-36-1, Benzenethiol, 4-nitro-, 4-Nitrothiophenolate, CCRIS 2340, EINECS 217-436-4, para-nitrothiophenol, NSC 128182, BRN 0606924, AI3-09024, QL9H28763R, NSC-128182, DTXSID1075145, 4-06-00-01687 (Beilstein Handbook Reference), pNitrothiophenol, pNitrobenzenethiol, 4Nitrobenzenethiol, 4Nitrothiophenolate, Benzenethiol, pnitro, Benzenethiol, 4nitro, pNitrophenyl mercaptan, DTXCID5035870, 217-436-4, axbvsrmhopmxba-uhfffaoysa-n, inchi=1/c6h5no2s/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10, p-Nitrothiophenol, p-Nitrophenyl mercaptan, 4-nitrobenzene-1-thiol, Benzenethiol, p-nitro-, P-NITROBENZENETHIOL, 4-Nitro-benzenethiol, 4-Nitrothiophenol (Contains Dimer), p-nitro thiophenol, p-nitrophenyl thiol, MFCD00007343, (4-nitrophenyl)sulfane, SCHEMBL1361, SCHEMBL1362, NCIOpen2_000175, UNII-QL9H28763R, CHEMBL120606, SCHEMBL3269461, BCP26029, STR01118, NSC128182, SBB058973, AKOS009144471, PB41492, PS-3199, 4-Nitrothiophenol, technical grade, 80%, p-Nitrothiophenol;Benzenethiol, 4-nitro-, DB-044541, CS-0055735, N0146, NS00026064, ST51042038, EN300-36802, H10808, AO-801/40217804, p-Nitrothiophenol;4-Nitrothiophenol;4-Nitro thiophenol

Application

4-Nitrothiophenol is extensively employed in the preparation of self-assembled monolayers (SAMs) on gold and other noble metal surfaces, serving as a key precursor for surface functionalization in biosensors and nanotechnology. Its nitro group enables further chemical modifications, making it valuable in the synthesis of pharmaceutical intermediates and agrochemicals. Researchers also utilize this compound in studying charge transfer processes and redox-active materials due to its distinct electrochemical properties. Additionally, it acts as a ligand in coordination chemistry and catalysis, particularly in palladium-catalyzed cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (97.7%)
• Eye Irrit. 2 (97.7%)
• STOT SE 3 (95.5%)

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