2,4,5-Trichlorobenzenesulfonyl chloride

Base Information

• Chemical Name: 2,4,5-Trichlorobenzenesulfonyl chloride
• CAS No.: 15945-07-0
• Molecular Formula: C6H2Cl4O2S
• Molecular Weight: 279.959
• Hs Code.: 29049095
• European Community (EC) Number: 240-079-0
• NSC Number: 26958
• UNII: 7GD5283XIX
• DSSTox Substance ID: DTXSID1065974
• Nikkaji Number: J150.762A
• Wikidata: Q27268243
• Mol file: 15945-07-0.mol

Synonyms:2,4,5-trichlorobenzene sulfonyl chloride

Chemical Property of 2,4,5-Trichlorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: White or cream solid
• Vapor Pressure: 0.000127mmHg at 25°C
• Melting Point: 68-70 °C
• Refractive Index: 1.593
• Boiling Point: 344.966 °C at 760 mmHg
• Flash Point: 162.43 °C
• PSA: 42.52000
• Density: 1.729 g/cm³
• LogP: 4.65510
• Storage Temp.: Store at RT.
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.850011
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trichlorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-14
• Safety Statements: 26-27-36/37/39-8-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)Cl
• Uses: 2,4,5-Trichloro-benzenesulfonyl chloride is a useful building block for organic synthesis.

Technology Process of 2,4,5-Trichlorobenzenesulfonyl chloride

There total 3 articles about 2,4,5-Trichlorobenzenesulfonyl 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: 96.0%

2,4,5-trichlorophenyl disulfide (3808-87-5) → 2,4,5-trichlorobenzensulfonyl chloride (15945-07-0)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid; In dichloromethane; water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.11.047

Reference yield:

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,4,5-trichlorobenzensulfonyl chloride (15945-07-0)

Guidance literature:

With chlorosulphuric acid;

DOI:10.1039/jr9600003063 DOI:10.1021/ja01860a014

Reference yield:

→ 2,4,5-trichlorobenzensulfonyl chloride (15945-07-0)

Guidance literature:

entspr. Stammverb., ClSO3H;

upstream raw materials:

1,2,4-Trichlorobenzene

2,4,5-trichlorophenyl disulfide

Downstream raw materials:

2,4,5-trichloro-benzenesulfonic acid phenyl ester

N-<2-Hydroxy-aethyl>-2.4.5-trichlor-benzolsulfonsaeure-amid

N,N-Diphenyl-2,4,5-trichlor-benzolsulfonsaeureamid

N,N-dimethyl-2,4,5-trichlorobenzenesulfonamide

Refernces

• 1、 Pu, Yu-Ming,Christesen, Alan,Ku, Yi-Yin. "A simple and highly effective oxidative chlorination protocol for the preparation of arenesulfonyl chlorides". supporting information; experimental part. p. 418 - 421. Retrieved 2010/03/04.