Benzenesulfonyl fluoride, 3-nitro-

Base Information

• Chemical Name: Benzenesulfonyl fluoride, 3-nitro-
• CAS No.: 349-78-0
• Molecular Formula: C6H4 F N O4 S
• Molecular Weight: 205.166
• Hs Code.: 2904909090
• European Community (EC) Number: 206-492-5
• NSC Number: 43019
• DSSTox Substance ID: DTXSID8059845
• Nikkaji Number: J193.812F
• Wikidata: Q81988969
• Mol file: 349-78-0.mol

Synonyms:3-nitrobenzenesulfonyl fluoride;349-78-0;Benzenesulfonyl fluoride, 3-nitro-;m-Nitrobenzenesulfonyl fluoride;3-nitrobenzene-1-sulfonyl fluoride;3-Nitrobenzenesulphonyl fluoride;3-nitro-Benzenesulfonyl fluoride;Benzenesulfonyl fluoride, m-nitro-;C6H4FNO4S;3-Nitrophenylsulfonyl fluoride;EINECS 206-492-5;NSC 43019;3-nitrobenzenesulfonylfluoride;m-Nitrobenzenesulphonyl fluoride;SCHEMBL8099347;DTXSID8059845;NSC43019;3-Nitrophenylsulfonyl fluoride, 97%;MFCD00024845;NSC-43019;AKOS024332418;ES-2104;CS-0205162;EN300-135554;A822489;Z1269120735

Chemical Property of Benzenesulfonyl fluoride, 3-nitro-

Chemical Property:

• Vapor Pressure: 0.0171mmHg at 25°C
• Boiling Point: 263.2°Cat760mmHg
• Flash Point: 113°C
• PSA: 88.34000
• Density: 1.493g/cm³
• LogP: 2.85700
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.98450694
• Heavy Atom Count: 13
• Complexity: 291

Purity/Quality:

98%min ^*data from raw suppliers

3-Nitrobenzenesulfonylfluoride 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)F)[N+](=O)[O-]

Technology Process of Benzenesulfonyl fluoride, 3-nitro-

There total 13 articles about Benzenesulfonyl fluoride, 3-nitro- 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: 97.0%

→ 3-nitrobenzene-1-sulfonyl fluoride (349-78-0)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃; for 3h;

Reference yield: 95.0%

3-nitrobenzenesulphonyl chloride (121-51-7) → 3-nitrobenzene-1-sulfonyl fluoride (349-78-0)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In acetonitrile; for 24h;

DOI:10.1016/j.tet.2015.10.053

Reference yield: 71.0%

3-nitrophenylhydrazine hydrochloride (51516-96-2,636-95-3) → 3-nitrobenzene-1-sulfonyl fluoride (349-78-0)

Guidance literature:

With pyridine; copper (II) carbonate hydroxide; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; N-fluorobis(benzenesulfon)imide; In acetonitrile; at 40 ℃; for 2h; Sealed tube; Inert atmosphere;

DOI:10.1039/d1ob01697k

upstream raw materials:

phenylsulfonyl fluoride

3-nitrophenylsulfonamide

3-nitrobenzenesulphonyl chloride

sodium 3-nitrobenzenesulfinate

Downstream raw materials:

1-nitro-3-(trifluoromethylsulfonyl)benzene

3-fluoro-1-nitrobenzene

3-fluorobenzenesulfonyl fluoride

3-nitrobenzenesulphonyl chloride

Refernces

• 1、 Hsu, Yu-Ling,Yang, Chun-Chieh,Chou, Tzyy-Chao,Tai, Chih-Hsuan,Chen, Long-Yuan,Fu, Shu-Ling,Lin, Jing-Jer,Lo, Lee-Chiang. "Design, synthesis, and evaluation of cell permeable probes for protein kinases". . p. 58 - 68. Retrieved 2016.
• 2、 Chen, Qing-Yun,Guo, Yong,Hu, Xiaojun,Liu, Chao,Liu, Yongan,Ma, Xiaoyu,Pan, Qijun,Pang, Wan,Wu, Jingjing. "Copper-catalyzed three-component reaction of arylhydrazine hydrochloride, DABSO, and NFSI for the synthesis of arenesulfonyl fluorides". supporting information. p. 8999 - 9003. Retrieved 2021/11/04.
• 3、 Talko, Alicja,Antoniak, Damian,Barbasiewicz, Micha?. "Directed ortho-Metalation of Arenesulfonyl Fluorides and Aryl Fluorosulfates". . p. 2278 - 2286. Retrieved 2019/05/24.