3-Nitro-benzenethiol

Base Information

• Chemical Name: 3-Nitro-benzenethiol
• CAS No.: 3814-18-4
• Molecular Formula: C6H5NO2S
• Molecular Weight: 155.177
• Mol file: 3814-18-4.mol

Synonyms:Benzenethiol,m-nitro- (6CI,7CI,8CI);3-Nitrobenzenethiol;3-Nitrothiophenol;m-Nitrobenzenethiol;m-Nitrothiophenol;

Chemical Property of 3-Nitro-benzenethiol

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 256.8 °C at 760 mmHg
• Flash Point: 109.1 °C
• PSA: 84.62000
• Density: 1.362 g/cm³
• LogP: 2.40670

Purity/Quality:

99%, ^*data from raw suppliers

3-nitrobenzene-1-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Nitro-benzenethiol

There total 17 articles about 3-Nitro-benzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

bis(3-nitrophenyl) disulfide (537-91-7) → 3-nitrothiophenol (3814-18-4)

Guidance literature:

With hydrogenchloride; diphenylphosphinopolystyrene; In tetrahydrofuran; at 25 ℃; for 0.25h;

DOI:10.1021/jo00188a028

Reference yield: 89.0%

3-nitrobenzenesulphonyl chloride (121-51-7) → 3-nitrothiophenol (3814-18-4)

Guidance literature:

3-nitrobenzenesulphonyl chloride; With triphenylphosphine; In toluene; Inert atmosphere;

With iodine; In toluene; for 3h; Inert atmosphere; Reflux;

DOI:10.1039/c6ce00496b

Reference yield: 84.0%

m-iodonitrobenzene (645-00-1) → 3-nitrothiophenol (3814-18-4)

Guidance literature:

m-iodonitrobenzene; With potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; triphenylphosphine; In 1,4-dioxane; water; N,N-dimethyl-formamide; at 40 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ol902186d

upstream raw materials:

bis(3-nitrophenyl) disulfide

S-3-nitrophenyl thiolacetate

sodium 3-nitrobenzenesulfonate

(3-nitro-phenylsulfanyl)-acetic acid

Downstream raw materials:

2-(3-nitro-phenylsulfanyl)-ethanol

3-nitrophenyl chlorothioformate

ethyl m-nitrophenyl disulfide

isopropyl m-nitrophenyl disulfide

Refernces

• 1、 Mehrotra, Sonam,Angamuthu, Raja. "Janus head type lone pair-π-lone pair and S?F?S interactions in retaining hexafluorobenzene". . p. 4438 - 4444. Retrieved 2016/07/06.
• 2、 Chen, Xinzhi,Zhou, Shaodong,Qian, Chao. "Catalytic transfer hydrogenation of aryl sulfo compounds". experimental part. p. 179 - 185. Retrieved 2012/05/21.