2,4-Dichloro-5-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 2,4-Dichloro-5-methylbenzenesulfonyl chloride
• CAS No.: 28286-86-4
• Molecular Formula: C7H5 Cl3 O2 S
• Molecular Weight: 259.541
• Hs Code.: 29049095
• European Community (EC) Number: 248-938-1
• NSC Number: 107853
• DSSTox Substance ID: DTXSID40182536
• Nikkaji Number: J250.690D
• Wikidata: Q83053243
• Mol file: 28286-86-4.mol

Synonyms:28286-86-4;2,4-dichloro-5-methylbenzenesulfonyl chloride;2,4-dichloro-5-methylbenzene-1-sulfonyl chloride;2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride;EINECS 248-938-1;2,4-dichloro-5-methylphenylsulfonyl chloride;NSC107853;2,4-Dichloro-5-methylbenzenesulfonylchloride;SCHEMBL788091;DTXSID40182536;MFCD00044016;AKOS005139217;NSC 107853;NSC-107853;AS-67951;FT-0610015;2,4-dichloro-5-methyl-benzenesulfonyl chloride;2,4-dichloro-5-methylbenzene sulfonyl chloride;2,4-Dichloro-5-methylbenzenesulphonyl chloride;Benzenesulfonylchloride,2,4-dichloro-5-methyl-;EN300-235678;2,4-dichloro-5-methylbenzene-1-sulfonylchloride;2,4-Dichloro-5-methylbenzenesulfonic acid chloride;F1967-0681;2,4-dichloro-5-methylbenzenesulfonyl chloride, AldrichCPR

Chemical Property of 2,4-Dichloro-5-methylbenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.000268mmHg at 25°C
• Melting Point: 67-72 °C
• Boiling Point: 333.2°Cat760mmHg
• Flash Point: 155.3°C
• PSA: 42.52000
• Density: 1.56g/cm³
• LogP: 4.31010
• Sensitive.: Moisture Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 257.907584
• Heavy Atom Count: 13
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-5-methylbenzenesulfonyl chloride 95%+ ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)Cl

Technology Process of 2,4-Dichloro-5-methylbenzenesulfonyl chloride

There total 1 articles about 2,4-Dichloro-5-methylbenzenesulfonyl 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: 75.0%

2,4-dichlorotoluene (95-73-8) → 2,4-dichloro-5-methyl-benzenesulfonyl chloride (28286-86-4)

Guidance literature:

With chlorosulfonic acid; at 60 ℃; for 3h;

DOI:10.1016/j.bmc.2008.11.031

Reference yield: 93.0%

2,4-dichloro-5-methyl-benzenesulfonyl chloride (28286-86-4) → C14H10Cl4S2 (88519-69-1)

Guidance literature:

With <(C8H17)3NCH3>⁺Cl^-; sulfur dioxide; water; hydrogen iodide;

Reference yield: 83.0%

4-(4-methylpiperidin-1-yl)piperidine (116797-02-5) + 2,4-dichloro-5-methyl-benzenesulfonyl chloride (28286-86-4) → 1'-((2,4-dichloro-5-methylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b00532

upstream raw materials:

2,4-dichlorotoluene

Downstream raw materials:

2,4-Difluoro-5-methyl-benzenesulfonyl fluoride

2,4-dichloro-5-methylbenzenethiol

C₁₄H₁₀Cl₄S₂

2,4-dichloro-N-[3,5-dichloro-4-(6-methyl-quinolin-3-yloxy)-phenyl]-5-methyl-benzenesulfonamide

Refernces