2-Nitro-p-toluenesulphonyl chloride

Base Information

• Chemical Name: 2-Nitro-p-toluenesulphonyl chloride
• CAS No.: 54090-41-4
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.648
• Hs Code.: 2904909090
• European Community (EC) Number: 258-970-8
• DSSTox Substance ID: DTXSID40968958
• Nikkaji Number: J279.579E
• Wikidata: Q82951884
• Mol file: 54090-41-4.mol

Synonyms:2-Nitro-p-toluenesulphonyl chloride;54090-41-4;4-methyl-2-nitrobenzene-1-sulfonyl chloride;4-methyl-2-nitrobenzenesulfonyl chloride;EINECS 258-970-8;SCHEMBL137704;DTXSID40968958;STL200258;AKOS002433937;2-nitro-4-methylbenzenesulfonyl chloride;4-methyl-2-nitro-benzenesulfonyl chloride;Benzenesulfonylchloride,4-methyl-2-nitro-;NS-03167;4-methyl-2-nitrobenzene-1-sulfonylchloride;EN300-40127

Chemical Property of 2-Nitro-p-toluenesulphonyl chloride

Chemical Property:

• Vapor Pressure: 3.7E-05mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 363.7 °C at 760 mmHg
• Flash Point: 173.8 °C
• PSA: 88.34000
• Density: 1.528 g/cm³
• LogP: 3.43470
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.9706065
• Heavy Atom Count: 14
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

2-Nitro-p-toluenesulphonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

Technology Process of 2-Nitro-p-toluenesulphonyl chloride

There total 12 articles about 2-Nitro-p-toluenesulphonyl 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: 67.0%

4-methyl-2-nitroaniline (89-62-3) → 2-nitro-p-toluenesulfonyl chloride (54090-41-4)

Guidance literature:

4-methyl-2-nitroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.75h;

With sulfur dioxide; copper dichloride; In water; acetic acid; at 50 ℃; for 5h;

Reference yield: 53.0%

→ 2-nitro-p-toluenesulfonyl chloride (54090-41-4)

Guidance literature:

With sodium nitrite; In water; acetic acid; at -15 - -5 ℃; for 0.75h;

With sulfur dioxide; copper(l) chloride; In water; acetic acid; at 0 ℃; for 1.16667h;

Reference yield:

→ 2-nitro-p-toluenesulfonyl chloride (54090-41-4)

Guidance literature:

With chlorine; acetic acid;

upstream raw materials:

4,4′-dimethyl-2,2′-dinitrodiphenyldisulfide

4-methyl-2-nitroaniline

p-toluenesulfonyl chloride

2-nitro-4-toluenylsulfenyl chloride

Downstream raw materials:

2-nitro-toluene-4-sulfonic acid-(4-nitro-phenyl ester)

2-nitro-toluene-4-sulfonic acid p-anisidide

1-methyl-2-nitro-4-(phenylsulfonyl)benzene

C₁₆H₁₈N₄O₈S₂

Refernces

• 1、 -. "Novel Sulfonaminoquinoline Hepcidin Antagonists". Page/Page column 126. . Retrieved 2012/09/05.
• 2、 Maeda, Hatsuo,Yamamoto, Kayoko,Kohno, Iho,Hafsi, Leila,Itoh, Norio,Nakagawa, Shinsaku,Kanagawa, Naoko,Suzuki, Keiichiro,Uno, Tadayuki. "Design of a practical fluorescent probe for superoxide based on protection-deprotection chemistry of fluoresceins with benzenesulfonyl protecting groups". . p. 1946 - 1954. Retrieved 2008/02/03.