5-Bromo-2-methylbenzene-1-sulfonic acid

Base Information

• Chemical Name: 5-Bromo-2-methylbenzene-1-sulfonic acid
• CAS No.: 56919-17-6
• Molecular Formula: C7H7BrO3S
• Molecular Weight: 251.101
• DSSTox Substance ID: DTXSID30569251
• Wikidata: Q72446678
• Mol file: 56919-17-6.mol

Synonyms:56919-17-6;5-BROMO-2-METHYLBENZENESULFONIC ACID;5-BROMO-2-METHYLBENZENE-1-SULFONIC ACID;SCHEMBL6465;DTXSID30569251;AKOS015891323;BS-28959;5-BROMO-2-METHYLBENZENESULFONICACID

Chemical Property of 5-Bromo-2-methylbenzene-1-sulfonic acid

Chemical Property:

• Refractive Index: 1.599
• PSA: 62.75000
• Density: 1.735g/cm³
• LogP: 3.08500
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 249.92993
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-methylbenzene-1-sulfonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Br)S(=O)(=O)O

Technology Process of 5-Bromo-2-methylbenzene-1-sulfonic acid

There total 8 articles about 5-Bromo-2-methylbenzene-1-sulfonic 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:

para-bromotoluene (106-38-7) → 4-bromo-toluene-3-sulfonic acid (56919-22-3) + 4-bromo-toluene-2-sulfonic acid (56919-17-6)

Guidance literature:

With sulfur trioxide; In nitromethane; at 0 ℃; Product distribution; further reagent;

Reference yield:

para-bromotoluene (106-38-7) → 4-bromo-toluene-2-sulfonic acid (56919-17-6)

Guidance literature:

With sulfuric acid; Neutralisieren mit Baryt, so krystallisieren zunaechst schwer loesliche Tafeln des Salzes der 4-Brom-toluol-sulfonsaeure-⁽²⁾, spaeter Nadeln oder Saeulen des sehr leicht loeslichen Salzes der 4-Brom-toluol-sulfonsaeure-⁽³⁾;

Reference yield:

1-methyl-4-nitrobenzene (99-99-0) → 4-bromo-toluene-2-sulfonic acid (56919-17-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid

2: hydrogen sulfide; ammonia

3: Diazotization_.und Zersetzung der Diazoniumverbindung mit Bromwasserstoff

With sulfuric acid; hydrogen sulfide; ammonia;

upstream raw materials:

para-bromotoluene

4-amino-toluene-2-sulfonic acid

hydrogen bromide

4-amino-toluene-2-sulfinic acid

Downstream raw materials:

5-bromo-2-methyl-benzene-sulfonyl chloride

o-toluenesulfonic acid

4-bromo-2-sulfo-benzoic acid

2-thiocresol

Refernces