3-Bromo-4-methylbenzenesulfonamide

Base Information

• Chemical Name: 3-Bromo-4-methylbenzenesulfonamide
• CAS No.: 210824-69-4
• Molecular Formula: C7H8 Br N O2 S
• Molecular Weight: 250.116
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID80593389
• Wikidata: Q82487873
• Mol file: 210824-69-4.mol

Synonyms:3-Bromo-4-methylbenzenesulfonamide;210824-69-4;3-Bromo-4-methylbenzenesulphonamide;Benzenesulfonamide, 3-bromo-4-methyl-;3-Bromo-4-methylbenzene-1-sulfonamide;OSM-E-31;SCHEMBL1368195;DTXSID80593389;CFMBNGJNYNLPDL-UHFFFAOYSA-N;GS1056;MFCD09801033;AKOS012639320;3-bromo-4-methylphenylsulfonic acid amide;BS-22061;CS-0205701;EN300-275332;F72107;A879263

Chemical Property of 3-Bromo-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.05E-06mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 379°Cat760mmHg
• PKA: 9.94±0.60(Predicted)
• Flash Point: 183°C
• PSA: 68.54000
• Density: 1.658g/cm³
• LogP: 3.18600
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

95-99% ^*data from raw suppliers

3-Bromo-4-methylbenzenesulfonamide 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-4-methylbenzenesulfonamide

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

toluene-4-sulfonamide (70-55-3) → 3-bromo-4-methylbenzenesulfonamide (210824-69-4)

Guidance literature:

With bromine; iron; at 20 ℃; for 1h;

Reference yield:

3-bromo-4-methylaniline (7745-91-7) → 3-bromo-4-methylbenzenesulfonamide (210824-69-4)

Guidance literature:

3-bromo-4-methylaniline; With hydrogenchloride; In water; at 20 ℃; for 0.0833333h;

With sodium nitrite; In water; at -15 - -10 ℃; for 0.75h;

With sulfur dioxide; ammonia; copper(l) chloride; copper dichloride; more than 3 stages;

Reference yield:

→ 3-bromo-4-methylbenzenesulfonamide (210824-69-4)

Guidance literature:

With ammonia; water;

upstream raw materials:

3-bromo-4-methylaniline

toluene-4-sulfonamide

Downstream raw materials:

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

4-sulfamoyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylacetate

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

Refernces

• 1、 -. "Five-membered heterocycles having biphenylsulfonyl substitution, with sulfonylcyanamide side chain, compositions containing them, and methods of using them". Page column 37. . Retrieved 2008/06/13.