4-Bromobenzenesulfonamide

Base Information

• Chemical Name: 4-Bromobenzenesulfonamide
• CAS No.: 701-34-8
• Molecular Formula: C6H6 Br N O2 S
• Molecular Weight: 236.089
• Hs Code.: 2935009090
• European Community (EC) Number: 629-330-9
• NSC Number: 31049
• DSSTox Substance ID: DTXSID10220373
• Nikkaji Number: J41.379H
• Wikidata: Q72451540
• Pharos Ligand ID: YYRYS3ZCLUKM
• ChEMBL ID: CHEMBL178852
• Mol file: 701-34-8.mol

Synonyms:4-bromobenzenesulfonamide;4-bromobenzenesulfonamide sodium

Chemical Property of 4-Bromobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.57E-06mmHg at 25°C
• Melting Point: 163-167 ºC
• Refractive Index: 1.614
• Boiling Point: 360.7 °C at 760 mmHg
• PKA: 9.89±0.10(Predicted)
• Flash Point: 171.9 °C
• PSA: 68.54000
• Density: 1.754 g/cm³
• LogP: 2.87760
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 991.6mg/L(15 oC)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.93026
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)N)Br
• Uses: 4-Bromobenzenesulfonamide was used as reagent in preparation of cobalt(III) complexes of N,R-sulfonyldithiocarbimate anion. It was also used in the synthesis of 2-, 3- and 4-(substituted-phenylethynyl)benzenesulfonamides.

Technology Process of 4-Bromobenzenesulfonamide

There total 23 articles about 4-Bromobenzenesulfonamide 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: 100.0%

4-bromobenzenesulfonyl chloride (98-58-8) → 4-bromo-benzenesulfonic acid amide (701-34-8)

Guidance literature:

With pyridine; ammonia; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2007.04.110

Reference yield: 95.0%

4-bromo-(N-tert-butyl)benzenesulfonamide (93281-65-3) → 4-bromo-benzenesulfonic acid amide (701-34-8)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In nitromethane; at 50 ℃; for 4h;

DOI:10.1081/SCC-200048949

Reference yield: 86.0%

1-((4-bromophenyl)sulfonyl)pyrrolidine-2,5-dione → 4-bromo-benzenesulfonic acid amide (701-34-8)

Guidance literature:

With allyl bromide; In ethanolamine; at 80 ℃; for 8h; Sealed tube;

DOI:10.1021/acs.orglett.1c03541

upstream raw materials:

4-bromobenzenesulfonyl chloride

4-bromoohenyl methyl sulfone

4-bromobenzenesulfonyl isocyanate

p-bromobenzenesulfonyl azide

Downstream raw materials:

(4-bromo-benzenesulfonyl)-oxalamic acid methyl ester

N-(4-bromo-benzenesulfonyl)-phthalimide

N-((4-bromophenyl)sulfonyl)benzamide

(4-bromo-benzenesulfonyl)-formyl-amine

Refernces

• 1、 Govindan, Karthick,Chen, Nian-Qi,Chuang, Yu-Wei,Lin, Wei-Yu. "Unlocking Amides through Selective C–N Bond Cleavage: Allyl Bromide-Mediated Divergent Synthesis of Nitrogen-Containing Functional Groups". . p. 9419 - 9424. Retrieved 2021/11/30.
• 2、 -. "METHOD FOR PRODUCING OXIDE USING BETA-MANGANESE DIOXIDE". Paragraph 0097; 0098. . Retrieved 2021/10/15.