2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride

Base Information

• Chemical Name: 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride
• CAS No.: 54090-08-3
• Molecular Formula: C7H3Cl2F3O2S
• Molecular Weight: 279.067
• Hs Code.: 2904909090
• European Community (EC) Number: 670-845-3
• DSSTox Substance ID: DTXSID80370192
• Wikidata: Q72460171
• Mol file: 54090-08-3.mol

Synonyms:54090-08-3;2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride;2-Chloro-5-(Trifluoromethyl)Benzene-1-Sulfonyl Chloride;2-chloro-5-(trifluoromethyl)benzenesulphonylchloride;MFCD00052310;FERRICAMMONIUMOXALATE;SCHEMBL67766;DTXSID80370192;STL301685;AKOS001044540;CS-W012288;AS-30433;FT-0611804;EN300-17189;2-chloro-5-trifluoromethylbenzenesulfonylchloride;2-chloro-5-trifluoromethylbenzenesulfonyl chloride;A829956;2-chloro-5-(trifluoromethyl)- benzenesulfonyl chloride;2-chloranyl-5-(trifluoromethyl)benzenesulfonyl chloride;2-Chloro-5-(Trifluoromethyl)Benzene-1-SulfonylChloride;2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride, AldrichCPR

Chemical Property of 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride

Chemical Property:

• Appearance/Colour: clear light yellow to yellow liquid
• Vapor Pressure: 6.2E-06mmHg at 25°C
• Refractive Index: 1.508-1.51
• Boiling Point: 295.2 °C at 760 mmHg
• Flash Point: 132.3 °C
• PSA: 42.52000
• Density: 1.626 g/cm³
• LogP: 4.36710
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 277.9182904
• Heavy Atom Count: 15
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-(trifluoromethyl)benzenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl

Technology Process of 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride

There total 4 articles about 2-chloro-5-(trifluoromethyl)benzenesulfonyl 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:

3-amino-4-chlorobenzotrifluoride (121-50-6) → 2-chloro-5-trifluoromethyl-benzenesulfonyl chloride (54090-08-3)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) SO₃, CuCl₂, AcOH;

Reference yield:

4-chlorobenzotrifluoride (98-56-6) → 2-chloro-5-trifluoromethyl-benzenesulfonyl chloride (54090-08-3)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid; sulfuric acid

2: sodium dithionite

3: sodium nitrite; hydrogenchloride; acetic acid; sulfur dioxide; copper(l) chloride; copper dichloride

With hydrogenchloride; sodium dithionite; sulfuric acid; sulfur dioxide; nitric acid; acetic acid; copper(l) chloride; copper dichloride; sodium nitrite;

DOI:10.1039/c5ra25765d

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 2-chloro-5-trifluoromethyl-benzenesulfonyl chloride (54090-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium dithionite

2: sodium nitrite; hydrogenchloride; acetic acid; sulfur dioxide; copper(l) chloride; copper dichloride

With hydrogenchloride; sodium dithionite; sulfur dioxide; acetic acid; copper(l) chloride; copper dichloride; sodium nitrite;

DOI:10.1039/c5ra25765d

upstream raw materials:

3-amino-4-chlorobenzotrifluoride

4-chlorobenzotrifluoride

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

1-(2-chloro-5-trifluoromethylphenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Refernces

• 1、 Hua, Xue-Wen,Chen, Ming-Gui,Zhou, Shaa,Zhang, Dong-Kai,Liu, Ming,Zhou, Sha,Liu, Jing-Bo,Lei, Kang,Song, Hai-Bin,Li, Yong-Hong,Gu, Yu-Cheng,Li, Zheng-Ming. "Research on controllable degradation of sulfonylurea herbicides". . p. 23038 - 23047. Retrieved 2016/03/12.