3-Bromobenzenesulfonic acid

Base Information

• Chemical Name: 3-Bromobenzenesulfonic acid
• CAS No.: 22033-09-6
• Molecular Formula: C6H5BrO3S
• Molecular Weight: 237.074
• DSSTox Substance ID: DTXSID70517711
• Wikidata: Q72451545
• Mol file: 22033-09-6.mol

Synonyms:3-bromobenzenesulfonic acid;22033-09-6;3-Bromo-benzenesulfonic acid;Benzenesulfonic acid, 3-bromo-;3-Bromobenzene-1-sulfonic acid;3-bromobenzenesulfonicacid;SCHEMBL711206;DTXSID70517711;QDWTXRWOKORYQH-UHFFFAOYSA-N;AKOS015940091;AM100523;BS-52846;CS-0197027;FT-0719497;E78453;EN300-245879;Benzenemethanamine,a-methyl-4-(trifluoromethyl)-,hydrochloride,(S)-

Chemical Property of 3-Bromobenzenesulfonic acid

Chemical Property:

• PKA: -0.94±0.15(Predicted)
• PSA: 62.75000
• Density: 1.846
• LogP: 2.77660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.91428
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

≥95% ^*data from raw suppliers

3-Bromobenzenesulfonicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)S(=O)(=O)O

Technology Process of 3-Bromobenzenesulfonic acid

There total 8 articles about 3-Bromobenzenesulfonic 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:

benzenesulfonic acid (98-11-3) → 3-bromobenzene-1-sulfonic acid (22033-09-6)

Guidance literature:

With bromine; at 100 ℃;

Reference yield:

→ 3-bromobenzene-1-sulfonic acid (22033-09-6)

Guidance literature:

With water; bromine; solange noch AgBr ausfaellt;

Reference yield:

→ 3-bromobenzene-1-sulfonic acid (22033-09-6)

Guidance literature:

With ethanol; potassium carbonate;

upstream raw materials:

benzenesulfonic acid

p-bromobenzene sulfonic acid

C₇H₇BrN₂O₄S

C₆H₅BrN₂O₄S

Downstream raw materials:

bromobenzene-2-sulfonic acid

p-bromobenzene sulfonic acid

recorcinol

3-bromo-N-benzylbenzenesulfonamide

Refernces

• 1、 Drozdova, O. A.,Astrat'ev, A. A.,Kuznetsov, L. L.,Selivanov, V. F.. "EFFECT OF STRUCTURE ON THE KINETICS AND MECHANISM OF THE ACID-CATALYZED DECOMPOSITION OF N-ALKYL-N-NITROBENZENESULFONAMIDES". . p. 671 - 675. Retrieved 2007/10/02.