2-Bromo-4-methylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2-Bromo-4-methylbenzene-1-sulfonyl chloride
• CAS No.: 89794-06-9
• Molecular Formula: C7H6BrClO2S
• Molecular Weight: 269.546
• Hs Code.: 2904990090
• European Community (EC) Number: 837-154-0
• DSSTox Substance ID: DTXSID70539216
• Wikidata: Q82414917
• Mol file: 89794-06-9.mol

Synonyms:89794-06-9;2-bromo-4-methylbenzenesulfonyl chloride;2-Bromo-4-methylbenzene-1-sulfonyl chloride;2-Bromo-4-methyl-benzenesulfonyl chloride;2-Bromo-4-methylbenzene-1-sulfonylchloride;SCHEMBL2927021;DTXSID70539216;MFCD08445068;AKOS000136549;AT13513;EN300-30562;2-bromo-4-methylbenzenesulfonyl chloride, AldrichCPR

Chemical Property of 2-Bromo-4-methylbenzene-1-sulfonyl chloride

Chemical Property:

• PSA: 42.52000
• LogP: 3.76580
• Storage Temp.: 2-8°C
• 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

2-Bromo-4-methylbenzenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-4-methylbenzene-1-sulfonyl chloride

There total 3 articles about 2-Bromo-4-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: 70.0%

2-bromo-p-toluidine (583-68-6) → 3-bromo-toluene-4-sulfonyl chloride (89794-06-9)

Guidance literature:

With hydrogenchloride; sulfur dioxide; acetic acid; copper(l) chloride; sodium nitrite; In water; at 0 ℃; for 3h;

Reference yield:

→ 3-bromo-toluene-4-sulfonyl chloride (89794-06-9)

Guidance literature:

With phosphorus pentachloride; at 160 ℃;

DOI:10.1021/ja01141a027

Reference yield:

→ 3-bromo-toluene-4-sulfonyl chloride (89794-06-9)

Guidance literature:

upstream raw materials:

2-bromo-p-toluidine

Downstream raw materials:

2-Brom-4-methyl-N-(4-methylphenyl)benzolsulfonamid

4-(2-{2-[(S)-2-(2-Bromo-4-methyl-benzenesulfonylamino)-2-tert-butoxycarbonyl-ethylcarbamoyl]-4-oxo-7,8-dihydro-4H,6H-1,5,8a-triaza-azulen-5-yl}-ethyl)-piperidine-1-carboxylic acid tert-butyl ester

N,N-bis(p-tolylsulfonyl)-4-methylaniline

2-Brom-4-methyl-N-(4-methylphenyl)-N-(4-methylphenylsulfonyl)benzolsulfonamid