4-Chloro-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: 4-Chloro-3-nitrobenzenesulfonamide
• CAS No.: 97-09-6
• Molecular Formula: C6H5ClN2O4S
• Molecular Weight: 236.636
• Hs Code.: 2935009090
• European Community (EC) Number: 202-559-8
• NSC Number: 512314
• UNII: 2O1T5ZXF22
• DSSTox Substance ID: DTXSID8052649
• Nikkaji Number: J30.819F
• Wikidata: Q27255164
• ChEMBL ID: CHEMBL51663
• Mol file: 97-09-6.mol

Synonyms:4-CHLORO-3-NITROBENZENESULFONAMIDE;97-09-6;3-Nitro-4-chlorobenzenesulfonamide;Benzenesulfonamide, 4-chloro-3-nitro-;4-chloro-3-nitrobenzene-1-sulfonamide;4-Chloro-3-nitrobenzenesulphonamide;HSDB 2568;4-Chloro-3-nitro-benzenesulfonamide;UNII-2O1T5ZXF22;CHEMBL51663;2O1T5ZXF22;EINECS 202-559-8;MFCD00035783;NSC 512314;NSC-512314;3-Nitro-4-chlorobenzensulfonyl amine;SCHEMBL1184879;4-chlor-3-nitrobenzensulfonamid;DTXSID8052649;2-nitrochlorobenzene-4-sulfonamide;4,5-Dimethoxy-2-nitrobenzylalcohol;AMY39526;BDBM50101939;GEO-03915;NSC512314;STL483063;4-chloro-3-nitro-benzene sulfonamide;4-chloro-3-nitro-1-benzenesulfonamide;AKOS000115239;AKOS025293419;CS-W014155;PS-4334;SB17976;4-Chloro-3-nitrobenzene-1-sulphonamide;SY037322;FT-0631499;EN300-01188;O11215;4-CHLORO-3-NITROBENZENESULPHONAMIDE [HSDB];A845681;SR-01000311153;SR-01000311153-1;W-100117;Q27255164;Z45415559

Chemical Property of 4-Chloro-3-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.58E-07mmHg at 25°C
• Melting Point: 25-35 °C
• Refractive Index: 1.621
• Boiling Point: 427.89 °C at 760 mmHg
• PKA: 9.28±0.60(Predicted)
• Flash Point: 212.581 °C
• PSA: 114.36000
• Density: 1.664 g/cm³
• LogP: 3.19990
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 224.8mg/L(15 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 235.9658555
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-nitrobenzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])Cl
• Uses: 4-Chloro-3-nitrobenzenesulfonamide is used as a chemical intermediate for azo dyes.

Technology Process of 4-Chloro-3-nitrobenzenesulfonamide

There total 12 articles about 4-Chloro-3-nitrobenzenesulfonamide 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-nitro-4-chlorosulfonyl chloride (97-08-5) → 4-Chloro-3-nitrobenzenesulfonamide (97-09-6)

Guidance literature:

With ammonium hydroxide; In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1021/jm0507532

Reference yield:

2-Chloronitrobenzene (88-73-3) → 4-Chloro-3-nitrobenzenesulfonamide (97-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H / 120 °C

2: NH₃ / dioxane; ethyl acetate / -5 °C

With chlorosulfonic acid; ammonia; In 1,4-dioxane; ethyl acetate;

DOI:10.1016/S0960-894X(02)00465-1

Reference yield:

concentrated NH40H + 3-nitro-4-chlorosulfonyl chloride (97-08-5) → 4-Chloro-3-nitrobenzenesulfonamide (97-09-6)

Guidance literature:

In diethyl ether;

upstream raw materials:

3-nitro-4-chlorosulfonyl chloride

4-chloro-3-nitrobenzenesulfonyl fluoride

2-Chloronitrobenzene

3-nitro-4-chlorobenzenesulfonic acid

Downstream raw materials:

4-o-anisidino-3-nitro-benzenesulfonic acid amide

3-nitro-4-(3-trifluoromethyl-anilino)-benzenesulfonic acid amide

3-nitro-4-p-toluidino-benzenesulfonic acid amide

4-(4-chloro-anilino)-3-nitro-benzenesulfonic acid amide

Refernces

• 1、 -. "Preparation method of 2-nitrochlorobenzene-4-sulfamide". Paragraph 0022-0031. . Retrieved 2019/03/28.
• 2、 -. "Amplified synthesis method of 3-nitro-4-halogeno-benzenesulfonamide". Paragraph 0019; 0021. . Retrieved 2017/08/29.