2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride

Base Information

• Chemical Name: 2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride
• CAS No.: 68592-11-0
• Molecular Formula: C14H7Cl3O4S
• Molecular Weight: 377.632
• European Community (EC) Number: 271-615-1
• DSSTox Substance ID: DTXSID10988269
• Nikkaji Number: J332.561J
• Mol file: 68592-11-0.mol

Synonyms:68592-11-0;2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride;2-chloro-5-(1-chloro-3-oxo-2-benzofuran-1-yl)benzenesulfonyl chloride;EINECS 271-615-1;2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)-benzenesulfonyl Chloride;2-Chloro-5-(1-chloro-3-oxo-1,3-dihydroisobenzofuran-1-yl)benzenesulfonyl chloride;starbld0005572;C14H7Cl3O4S;SCHEMBL6259983;C14-H7-Cl3-O4-S;DTXSID10988269;2-CHLORO-5-(1-CHLORO-1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANYL)BENZENESULFONYL CHLORIDE;3-Chloro-3-(4'-chloro-3'-chlorosulphonylphenyl)phthalide;2-Chloro-5-(1-chloro-3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzene-1-sulfonyl chloride;2-Chloro-5-[(1-chloro-1,3-dihydro-3-oxoisobenzofuran)-1-yl]benzenesulfonyl chloride

Chemical Property of 2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride

Chemical Property:

• Vapor Pressure: 8.83E-12mmHg at 25°C
• Melting Point: 132-135°C
• Boiling Point: 541.3°Cat760mmHg
• Flash Point: 281.1°C
• PSA: 68.82000
• Density: 1.71g/cm³
• LogP: 4.95860
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chlorform (Slightly, Sonicated), Ethyl Acetate (Very Slightly, Sonicated)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 375.913063
• Heavy Atom Count: 22
• Complexity: 561

Purity/Quality:

99.9% ^*data from raw suppliers

2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)-benzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)Cl)Cl
• Uses: 2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)-benzenesulfonyl Chloride is a useful synthetic intermediate.

Technology Process of 2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride

There total 2 articles about 2-Chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl 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:

2-(4-chloro-3-chlorosulfonyl-benzoyl)-benzoic acid (68592-12-1) → 2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonyl chloride (68592-11-0)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19590420344

Reference yield:

NSC 74496 (118-04-7) → 2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonyl chloride (68592-11-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl; acetic acid; NaNO₂ / und anschliessed mit SO₂ und CuCl₂

2: chloroform; phosphorus (V)-chloride

With hydrogenchloride; chloroform; phosphorus pentachloride; acetic acid; sodium nitrite;

DOI:10.1002/hlca.19590420344

Reference yield:

chloroform (67-66-3,8013-54-5) + 2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonyl chloride (68592-11-0) + ammonia (7664-41-7) → chlorthalidon (77-36-1)

Guidance literature:

DOI:10.1002/hlca.19590420344

upstream raw materials:

2-(4-chloro-3-chlorosulfonyl-benzoyl)-benzoic acid

NSC 74496

Downstream raw materials:

chlorthalidon