2-Chloro-5-nitrobenzenesulphinic acid

Base Information

• Chemical Name: 2-Chloro-5-nitrobenzenesulphinic acid
• CAS No.: 61886-18-8
• Molecular Formula: C6H4 Cl N O4 S
• Molecular Weight: 221.621
• Hs Code.: 2930909090
• European Community (EC) Number: 263-283-1
• DSSTox Substance ID: DTXSID10210875
• Nikkaji Number: J306.926E
• Wikidata: Q83085688
• Mol file: 61886-18-8.mol

Synonyms:2-chloro-5-nitrobenzenesulfinic acid;2-Chloro-5-nitrobenzenesulphinic acid;61886-18-8;EINECS 263-283-1;SCHEMBL3163313;DTXSID10210875;2-Chloro-5-nitro-benzenesulfinic acid;AKOS024324018;2-chloro-5-nitrobenzene-1-sulfinic acid;Benzenesulfinic acid, 2-chloro-5-nitro-;EN300-261052

Chemical Property of 2-Chloro-5-nitrobenzenesulphinic acid

Chemical Property:

• Vapor Pressure: 2.51E-09mmHg at 25°C
• Boiling Point: 461.8°C at 760 mmHg
• Flash Point: 233.1°C
• PSA: 102.33000
• Density: 1.82g/cm³
• LogP: 3.21770
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 220.9549565
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-nitrobenzenesulphinic acid

There total 4 articles about 2-Chloro-5-nitrobenzenesulphinic acid 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: 55.0%

→ 2-chloro-5-nitrobenzene sulfinic acid (61886-18-8)

Guidance literature:

Reference yield:

5-nitro-2-chlorobenzenesulfonyl chloride (4533-95-3) → 2-chloro-5-nitrobenzene sulfinic acid (61886-18-8)

Guidance literature:

With Methamphetamin; sodium sulfite;

Reference yield:

2-chloro-5-nitro-benzenesulfonic acid (96-73-1) → 2-chloro-5-nitrobenzene sulfinic acid (61886-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfonic acid / 4 h / 15 - 135 °C

2: sodium sulfite; sodium hydroxide; water / 1 h / 15 - 25 °C / pH 7 - 8 / Cooling with ice

With chlorosulfonic acid; water; sodium hydroxide; sodium sulfite;

upstream raw materials:

5-nitro-2-chlorobenzenesulfonyl chloride

hydrogenchloride

ethanol

2-chloro-5-nitro-benzenesulfonic acid

Downstream raw materials:

4-chlorobenzonitrile

4-chlorophenyl-(2-chloro-5-nitrophenyl) sulfoxide

2-chloro-5-nitrophenyl 2-hydroxyethyl sulphone

4-(2-chloro-5-nitro-phenylsulfanyl)-phenol

Refernces

• 1、 -. "Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient". . . Retrieved 2008/06/13.