5-Bromo-2-methylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 5-Bromo-2-methylbenzene-1-sulfonyl chloride
• CAS No.: 69321-56-8
• Molecular Formula: C7H6BrClO2S
• Molecular Weight: 269.546
• Hs Code.: 2904909090
• European Community (EC) Number: 816-696-1
• DSSTox Substance ID: DTXSID40407019
• Wikidata: Q72446690
• Mol file: 69321-56-8.mol

Synonyms:69321-56-8;5-bromo-2-methylbenzene-1-sulfonyl chloride;5-bromo-2-methylbenzenesulfonyl chloride;5-bromo-2-methyl-benzenesulfonyl Chloride;MFCD06655596;5-Bromo-2-methylbenzenesulphonyl chloride;Benzenesulfonyl chloride, 5-bromo-2-methyl-;5-Bromo-2-methylbenzene-1-sulfonylchloride;SCHEMBL264948;DTXSID40407019;OYSAFEFFWRNQJF-UHFFFAOYSA-N;AKOS000118447;AM87147;PB48411;s10934;PS-10892;SY065810;CS-0153570;FT-0687158;EN300-12975;A866871;5-bromo-2-methylbenzenesulfonyl chloride, AldrichCPR

Chemical Property of 5-Bromo-2-methylbenzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.000271mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 333.1 °C at 760 mmHg
• Flash Point: 155.2 °C
• PSA: 42.52000
• Density: 1.7 g/cm³
• LogP: 3.76580
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 267.89604
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-methylbenzenesulfonylchloride ^*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)Cl

Technology Process of 5-Bromo-2-methylbenzene-1-sulfonyl chloride

There total 6 articles about 5-Bromo-2-methylbenzene-1-sulfonyl chloride 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: 81.0%

para-bromotoluene (106-38-7) → 2-bromo-5-methylbenzenesulfonyl chloride (141113-98-6) + 5-bromo-2-methyl-benzene-sulfonyl chloride (69321-56-8)

Guidance literature:

With chlorosulfonic acid; In dichloromethane;

DOI:10.1016/j.bmc.2019.115231

Reference yield: 78.0%

para-bromotoluene (106-38-7) → 5-bromo-2-methyl-benzene-sulfonyl chloride (69321-56-8)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 0 ℃; for 4h;

DOI:10.1016/j.bmc.2005.01.039

Reference yield: 78.0%

methanesulfonic acid (75-75-2,98527-29-8) + para-bromotoluene (106-38-7) → 5-bromo-2-methyl-benzene-sulfonyl chloride (69321-56-8)

Guidance literature:

In dichloromethane; at -5 - 20 ℃;

upstream raw materials:

para-bromotoluene

4-bromo-toluene-2-sulfonic acid

methanesulfonic acid

Downstream raw materials:

5-bromo-2-methylbenzene-1-sulfonamide

1-(4-bromophenyl)methanesulfonamide

N-acetyl-5-bromo-2-methylbenzenesulfonamide

Refernces

• 1、 -. "ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES". Paragraph 1672; 1673; 1674. . Retrieved 2016/06/13.
• 2、 -. "ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES". Paragraph 1055; 1056; 1057. . Retrieved 2015/12/23.