Benzoic acid, 5-(aminosulfonyl)-2-chloro-

Base Information

• Chemical Name: Benzoic acid, 5-(aminosulfonyl)-2-chloro-
• CAS No.: 97-04-1
• Molecular Formula: C7H6 Cl N O4 S
• Molecular Weight: 235.648
• Hs Code.: 2935009090
• European Community (EC) Number: 202-554-0
• UNII: Q3HMU86N2T
• DSSTox Substance ID: DTXSID2059144
• Nikkaji Number: J64.455B
• Wikidata: Q81988680
• Mol file: 97-04-1.mol

Synonyms:2-chloro-5-sulfamoylbenzoic acid;97-04-1;Benzoic acid, 5-(aminosulfonyl)-2-chloro-;2-Chloro-5-sulphamoylbenzoic acid;3-CARBOXY-4-CHLOROBENZENESULFONAMIDE;Q3HMU86N2T;EINECS 202-554-0;2-Chloro-5-aminosulfonylbenzoic acid;Benzoic acid,5-(aminosulfonyl)-2-chloro-;5-(aminosulfonyl)-2-chlorobenzoic acid;2-Chloro-5-sulfamoyl-benzoic acid;2-CHLORO-5-SULFAMOYLBENZOICACID;UNII-Q3HMU86N2T;Oprea1_471321;2-chlor-5-sulfamoylbenzoesyre;chloro-5-sulfamoylbenzoic acid;SCHEMBL1185864;DTXSID2059144;5-Sulfamoyl-2-chlorobenzoic acid;GS1159;MFCD00036103;AKOS000145822;FT-0631498;2-chloro-5-sulfamoylbenzoic acid, AldrichCPR;EN300-10798;F84215;SR-01000057735;SR-01000057735-1;W-100121;Z53021520

Chemical Property of Benzoic acid, 5-(aminosulfonyl)-2-chloro-

Chemical Property:

• Vapor Pressure: 5.68E-10mmHg at 25°C
• Melting Point: 214-215°C
• Boiling Point: 478.7°Cat760mmHg
• Flash Point: 243.3°C
• PSA: 105.84000
• Density: 1.649g/cm³
• LogP: 2.46670
• Storage Temp.: -20?C Freezer
• Solubility.: Diethyl Ether, DMSO
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 234.9706065
• Heavy Atom Count: 14
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

3-Carboxy-4-chlorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)Cl
• Uses: 3-Carboxy-4-chlorobenzenesulfonamide (cas# 97-04-1) is a compound useful in organic synthesis.

Technology Process of Benzoic acid, 5-(aminosulfonyl)-2-chloro-

There total 5 articles about Benzoic acid, 5-(aminosulfonyl)-2-chloro- 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: 70.0%

→ 2-chloro-5-sulfamoyl-benzoic acid (97-04-1)

Guidance literature:

Reference yield:

4-chloro-3-methoxy-carbonylbenzenesulfonamide (61508-36-9) → 2-chloro-5-sulfamoyl-benzoic acid (97-04-1)

Guidance literature:

4-chloro-3-methoxy-carbonylbenzenesulfonamide; With sodium hydroxide; water; In methanol; at 20 ℃; for 3h;

With hydrogenchloride; In water;

Reference yield:

ortho-chlorobenzoic acid (118-91-2) → 2-chloro-5-sulfamoyl-benzoic acid (97-04-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfuric acid

2: water; ammonia

With chlorosulphuric acid; ammonia; water;

upstream raw materials:

2-chloro-5-(chlorosulfonyl)benzoic acid

ortho-chlorobenzoic acid

4-chloro-3-methoxy-carbonylbenzenesulfonamide

Downstream raw materials:

N-(4-Benzyl-morpholin-2-ylmethyl)-2-ethoxy-5-sulfamoyl-benzamide

N-(4-Benzyl-morpholin-2-ylmethyl)-2-ethylsulfanyl-5-sulfamoyl-benzamide

1-phenyl-2-oxopropyl 2-chloro-5-sulfamoylbenzoate

3-[4-(4-acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-4-chloro-benzenesulfonamide