2-Cyanobenzenesulfonamide

Base Information

• Chemical Name: 2-Cyanobenzenesulfonamide
• CAS No.: 73542-86-6
• Molecular Formula: C7H6 N2 O2 S
• Molecular Weight: 182.203
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30363670
• Wikidata: Q72457898
• Mol file: 73542-86-6.mol

Synonyms:2-Cyanobenzenesulfonamide;73542-86-6;2-cyanobenzene-1-sulfonamide;2-CYANOBENZENESULPHONAMIDE;2-cyano-1-benzenesulfonamide;SCHEMBL291455;DTXSID30363670;MFCD03094593;STK736112;AKOS000146253;TS-00214;CS-0204628;FT-0655310;EN300-35943;A837849;Z45415633

Chemical Property of 2-Cyanobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.78E-07mmHg at 25°C
• Melting Point: 160-164 °C(lit.)
• Refractive Index: 1.626
• Boiling Point: 420.6 °C at 760 mmHg
• Flash Point: 208.2 °C
• PSA: 92.33000
• Density: 1.47 g/cm³
• LogP: 1.98678
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.01499861
• Heavy Atom Count: 12
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

2-Cyanobenzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)S(=O)(=O)N

Technology Process of 2-Cyanobenzenesulfonamide

There total 4 articles about 2-Cyanobenzenesulfonamide 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: 69.0%

→ 2-nitrilebenzenesulfonamide (73542-86-6)

Guidance literature:

With oxalic acid; In fluorobenzene; at 80 ℃; for 0.5h; Microwave irradiation;

Reference yield:

2-cyanobenzenesulfonyl chloride (69360-26-5) → 3-amino-1,2-benzisothiazole 1,1-dioxide (7668-28-2) + 2-nitrilebenzenesulfonamide (73542-86-6)

Guidance literature:

With ammonia; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

(R)-N-[2-[4-(Aminophenyl)]ethyl]-2-hydroxy-2-(pyrid-3-yl)ethylamine + triethylsilyl chloride (994-30-9) + 4-Nitrophenyl chloroformate (7693-46-1) → 2-nitrilebenzenesulfonamide (73542-86-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane (THF/DCM); N,N-dimethyl-formamide;

upstream raw materials:

triethylsilyl chloride

4-Nitrophenyl chloroformate

2-cyanobenzenesulfonyl chloride

Downstream raw materials:

saccharin

2-cyano-N-(3-methylbut-2-en-1-yl)benzenesulfonamide

3-aminomethyl-benzenesulfonamide dihydrochloride

2-aminomethyl-benzenesulfonic acid amide; hydrochloride