2-(Chlorosulfonyl)benzoic acid

Base Information

• Chemical Name: 2-(Chlorosulfonyl)benzoic acid
• CAS No.: 63914-81-8
• Molecular Formula: C7H5ClO4S
• Molecular Weight: 220.633
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50560745
• Wikidata: Q72459472
• Mol file: 63914-81-8.mol

Synonyms:2-(CHLOROSULFONYL)BENZOIC ACID;63914-81-8;2-chlorosulfonylbenzoic acid;MFCD06208087;chlorosulfonylbenzoic acid;SCHEMBL135801;2-Chloro-sulfonyl benzoic acid;DTXSID50560745;ZRWICZHXYMHBDP-UHFFFAOYSA-N;2-(CHLOROSULFONYL)BENZOICACID;AKOS006223652;DS-18287;SY240580;CS-0156705;EN300-144413;F31126;A834576;J-506334

Chemical Property of 2-(Chlorosulfonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.39E-06mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 384 °C at 760 mmHg
• Flash Point: 186.1 °C
• PSA: 79.82000
• Density: 1.591 g/cm³
• LogP: 2.39310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.9597075
• Heavy Atom Count: 13
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

2-(Chlorosulfonyl)benzoicacid 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Chlorosulfonyl)benzoic acid

There total 1 articles about 2-(Chlorosulfonyl)benzoic acid 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-carbomethoxyaniline (134-20-3) → chlorosulphonyl-benzoic acid (63914-81-8)

Guidance literature:

2-carbomethoxyaniline; With hydrogenchloride; sodium nitrite; In water; at 25 ℃; for 0.00277778h; Flow reactor;

With hydrogenchloride; sodium hydrogensulfite; copper(l) chloride; In water; at 0 - 20 ℃;

DOI:10.1021/acs.oprd.6b00238

Reference yield: 95.6%

3-Carboxybenzenesulfonyl chloride (4025-64-3) + chlorosulphonyl-benzoic acid (63914-81-8) → 3-sulfosalicylic acid (121-53-9)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; water;

Reference yield: 94.3%

3-Carboxybenzenesulfonyl chloride (4025-64-3) + chlorosulphonyl-benzoic acid (63914-81-8) → 3-sulfobenzoic acid sodium salt

Guidance literature:

With sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; water;

upstream raw materials:

2-carbomethoxyaniline

Downstream raw materials:

3-sulfosalicylic acid

C₂₉H₂₈N₂O₆S

2-(3-(4-(4-(trifluoromethyl)phenyl)-1H-indol-1-yl)phenylaminosulfonyl)benzoic acid

2-phenylsulfamoyl-benzoic acid

Refernces