Ammonium o-sulfobenzoic acid

Base Information

• Chemical Name: Ammonium o-sulfobenzoic acid
• CAS No.: 6939-89-5
• Deprecated CAS: 861782-05-0
• Molecular Formula: C7H9NO5S
• Molecular Weight: 219.218
• Hs Code.: 2916 39 90
• European Community (EC) Number: 230-077-8
• NSC Number: 38710
• Mol file: 6939-89-5.mol

Synonyms:6939-89-5;Ammonium o-sulfobenzoic acid;2-Sulfobenzoic Acid Monoammonium Salt;azane;2-sulfobenzoic acid;2-sulfobenzoic acid, ammonia salt;Ammonium o-carboxybenzenesulfonate;ammonium 2-sulfobenzoate;2-sulfobenzoic acid ammonium salt;o-Sulfobenzoic acid, ammonium salt;NSC-38710;ammonia;Benzoic acid, monoammonium salt;SCHEMBL5188962;Benzoic acid, S-monoammonium salt;NSC38710;AKOS017344463;AS-65823;Benzoic acid,2-sulfo-,ammonium salt(1:1);CS-0454982;A836475

Chemical Property of Ammonium o-sulfobenzoic acid

Chemical Property:

• Melting Point: 274-277°C
• Boiling Point: 521 °C at 760 mmHg
• Flash Point: 268.9 °C
• PSA: 103.29000
• LogP: 2.03620
• Storage Temp.: Store below +30°C.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 219.02014356
• Heavy Atom Count: 14
• Complexity: 289

Purity/Quality:

97% ^*data from raw suppliers

2-Sulfobenzoic Acid Monoammonium Salt ^*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)O.N

Technology Process of Ammonium o-sulfobenzoic acid

There total 3 articles about Ammonium o-sulfobenzoic 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: 88.0%

saccharin (81-07-2) → o-sulfobenzoic acid, monoammonium salt (6939-89-5)

Guidance literature:

With hydrogenchloride; water; at 95 ℃; for 6h;

DOI:10.1080/17415990903480361

Reference yield:

saccharin sodium salt (128-44-9) → o-sulfobenzoic acid, monoammonium salt (6939-89-5)

Guidance literature:

With hydrogenchloride; water; Inert atmosphere;

DOI:10.1021/op034104g

Reference yield:

saccharin (81-07-2) → 2-sulfo-benzoic acid ; ammonium salt (6939-89-5,22895-07-4)

Guidance literature:

With water; at 200 ℃;

upstream raw materials:

saccharin

saccharin sodium salt

Downstream raw materials:

2-chlorosulfonylbenzoyl chloride

2-sulfobenzoic acid cyclic anhydride

2-[methoxycarbonylmethyl-(2-trifluoromethyl-phenyl)-sulfamoyl]-benzoic acid methyl ester

2-(2-trifluoromethyl-phenylsulfamoyl)-benzoic acid methyl ester