2-Chloro-5-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Chloro-5-nitrobenzenesulfonyl chloride
• CAS No.: 4533-95-3
• Molecular Formula: C6H3Cl2NO4S
• Molecular Weight: 256.066
• Hs Code.: 2904909090
• European Community (EC) Number: 224-873-4
• NSC Number: 350627
• UNII: FDZ3GSM63X
• DSSTox Substance ID: DTXSID1063510
• Nikkaji Number: J28.767I
• Wikidata: Q72455702
• Mol file: 4533-95-3.mol

Synonyms:2-Chloro-5-nitrobenzenesulfonyl chloride;4533-95-3;2-Chloro-5-nitrobenzene-1-sulfonyl chloride;2-Chloro-5-nitro-benzenesulfonyl chloride;Benzenesulfonyl chloride, 2-chloro-5-nitro-;2-CHLORO-5-NITROBENZENESULPHONYL CHLORIDE;FDZ3GSM63X;NSC 350627;EINECS 224-873-4;MFCD00129813;NSC-350627;2-chloro-5-nitrophenylsulfonyl chloride;Dimethyl Carbodithiocyanamate;2-Chloro-5-nitro-benzenesulfonylchloride;UNII-FDZ3GSM63X;2-chloro-5-nitrobenzene-1-sulphonyl chloride;SCHEMBL452351;DTXSID1063510;NSC350627;AKOS000115105;2-chloro-5-nitrobenzenesulfonylchloride;2-chloro-5nitrobenzenesulfonyl chloride;5-nitro-2-chlorobenzenesulfonylchloride;CS-W009302;PB42843;5-nitro-2-chlorobenzenesulfonyl chloride;2-chloro-5-nitrobenzene sulfonyl chloride;6-chloro-3-nitrobenzenesulphonyl chloride;BS-13913;SY101785;2-chloro-5-nitro benzene sulphonylchloride;2-Chloro-5-nitrobenzene-1-sulfonylchloride;2--Chloro-5-nitro benzene sulphonylchloride;FT-0635348;Benzenesulphonyl chloride, 2-chloro-5-nitro-;EN300-01715;A826781;W-106141;Z56862360

Chemical Property of 2-Chloro-5-nitrobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Solid
• Vapor Pressure: 2.19E-05mmHg at 25°C
• Melting Point: 88-90 °C
• Refractive Index: 1.599
• Boiling Point: 371.6 °C at 760 mmHg
• Flash Point: 178.5 °C
• PSA: 88.34000
• Density: 1.708 g/cm³
• LogP: 3.77970
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Dichloromethane, Ether, Ethyl Acetate
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.9159841
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

98.00% ^*data from raw suppliers

2-CHLORO-5-NITROBENZENESULFONYL CHLORIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)Cl
• Uses: 2-Chloro-5-nitrobenzenesulfonyl Chloride (cas# 4533-95-3) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-5-nitrobenzenesulfonyl chloride

There total 9 articles about 2-Chloro-5-nitrobenzenesulfonyl chloride 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: 98.5%

2-chloro-5-nitro-benzenesulfonic acid (96-73-1) → 5-nitro-2-chlorobenzenesulfonyl chloride (4533-95-3)

Guidance literature:

2-chloro-5-nitro-benzenesulfonic acid; With chlorosulfonic acid; for 0.5h;

With chlorine; at 75 - 76 ℃; Temperature;

Reference yield: 96.0%

2-chloro-5-nitrobenzenesulphonic acid sodium salt (946-30-5) → 5-nitro-2-chlorobenzenesulfonyl chloride (4533-95-3)

Guidance literature:

With trichlorophosphate; In sulfolane; acetonitrile; at 68 - 72 ℃; for 0.666667h;

DOI:10.1055/s-1982-29823

Reference yield: 55.0%

H2NC6H3(Cl)NO2 (6283-25-6) → 5-nitro-2-chlorobenzenesulfonyl chloride (4533-95-3)

Guidance literature:

H₂NC₆H₃(Cl)NO₂; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With copper(II) choride dihydrate; sulfur dioxide; acetic acid; In water; at 0 ℃; for 1h;

upstream raw materials:

4-chlorobenzonitrile

2-chloro-5-nitrobenzenesulphonic acid sodium salt

H₂NC₆H₃(Cl)NO₂

chlorosulfonic acid

Downstream raw materials:

2-chloro-5-nitro-benzenesulfonic acid anilide

4-chloro-1-nitro-3-phenylsulfonylbenzene

2-chloro-5-nitro-benzenesulfonic acid phenyl ester

2-chloro-5-nitrobenzenesulfonamide

Refernces

• 1、 -. "Novel brilliant blue dye intermediate, reactive brilliant blue dye as well as preparation method and application of reactive brilliant blue dye". Paragraph 0051-0056; 0065-0070; 0079-0084. . Retrieved 2021/05/12.
• 2、 Xie, Yiyue,Tummala, Padmaja,Oakley, Aaron J.,Deora, Girdhar Singh,Nakano, Yuji,Rooke, Melissa,Cuellar, Matthew E.,Strasser, Jessica M.,Dahlin, Jayme L.,Walters, Michael A.,Casarotto, Marco G.,Board, Philip G.,Baell, Jonathan B.. "Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors". . p. 2894 - 2914. Retrieved 2020/04/08.