4-Bromo-3-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Bromo-3-methylbenzenesulfonyl chloride
• CAS No.: 72256-93-0
• Molecular Formula: C7H6BrClO2S
• Molecular Weight: 269.546
• Hs Code.: 29049090
• European Community (EC) Number: 627-773-2
• DSSTox Substance ID: DTXSID70372100
• Nikkaji Number: J2.644.394F
• Wikidata: Q72446683
• Mol file: 72256-93-0.mol

Synonyms:4-Bromo-3-methylbenzenesulfonyl chloride;72256-93-0;4-Bromo-3-methylbenzene-1-sulfonyl chloride;4-bromo-3-methylbenzenesulphonyl chloride;4-bromo-3-methyl-benzenesulfonyl Chloride;MFCD03094696;6-Bromo-m-toluene-3-sulfonyl Chloride;SCHEMBL17985;JRNDXUKMWFVEIC-UHFFFAOYSA-;DTXSID70372100;JRNDXUKMWFVEIC-UHFFFAOYSA-N;AMY14542;BBL100675;STL554469;AKOS000199881;4-bromo-3-methylbenzene sulfonyl chloride;4-bromo-3-methylphenyl sulphonyl chloride;DS-14681;4-Bromo-3-methylbenzene-1-sulfonylchloride;4-bromanyl-3-methyl-benzenesulfonyl chloride;B2343;CS-0127971;FT-0601185;EN300-07956;4-Bromo-3-methylbenzenesulfonyl chloride, 97%;F16194;A837467;J-200065;InChI=1/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3

Chemical Property of 4-Bromo-3-methylbenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Melting Point: 58-61 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 311.2°C at 760 mmHg
• Flash Point: 142 °C
• PSA: 42.52000
• Density: 1.7
• LogP: 3.76580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• 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% ^*data from raw suppliers

4-Bromo-3-methylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-3-methylbenzenesulfonyl chloride

There total 4 articles about 4-Bromo-3-methylbenzenesulfonyl 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:

amino-5-bromo-2-toluene (6933-10-4) → 4-bromo-3-methylbenzenesulfonyl chloride (72256-93-0)

Guidance literature:

amino-5-bromo-2-toluene; With hydrogenchloride; acetic acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With sulfur dioxide; copper dichloride; In water; at 27 ℃; for 12h;

Reference yield:

2-methylphenyl bromide (95-46-5) → 4-bromo-3-methylbenzenesulfonyl chloride (72256-93-0)

Guidance literature:

With chlorosulphuric acid;

DOI:10.1021/ja01860a014 DOI:10.1021/ja01268a001

Reference yield:

→ 4-bromo-3-methylbenzenesulfonyl chloride (72256-93-0)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

2-methylphenyl bromide

amino-5-bromo-2-toluene

Downstream raw materials:

4-bromo-N,3-dimethylbenzenesulfonamide

4-bromo-3-methylbenzene-1-sulfonamide

4-bromo-N-isopropyl-3-methylbenzenesulfonamide

N,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Refernces