5-Chlorobenzofurazan 1-oxide

Base Information

• Chemical Name: 5-Chlorobenzofurazan 1-oxide
• CAS No.: 17348-69-5
• Molecular Formula: C6H3 Cl N2 O2
• Molecular Weight: 170.555
• Hs Code.: 2934999090
• NSC Number: 368685
• DSSTox Substance ID: DTXSID00169621
• Nikkaji Number: J697.213F
• Wikidata: Q83039336
• Mol file: 17348-69-5.mol

Synonyms:5-Chlorobenzofuroxan;17348-69-5;5-Chlorobenzofurazan 1-oxide;5-chloro-1-oxido-2,1,3-benzoxadiazol-1-ium;2,1,3-Benzoxadiazole, 5-chloro-, monooxide;5-chlorobenzfurazan-1-oxide;5-Chlorobenzofurazan-1-oxide;5-Chlorobenzo[c][1,2,5]oxadiazole 1-oxide;5-chloro-2,1,3-benzoxadiazole 1-oxide;NSC368685;5-Chloro-beznofurazan oxide;SCHEMBL7752547;5-Chlorobenzofuroxan, AldrichCPR;DTXSID00169621;HMS1577I02;CCG-2066;MFCD00068063;STK327648;AKOS004910213;NSC 368685;NSC-368685;4-Pentenoic acid, 3-oxo-, ethyl ester;2,1,3-Benzoxadiazole,5-chloro-,1-oxide;5-Chlorobenzo[c][1,2,5]oxadiazole1-oxide;FT-0620312

Chemical Property of 5-Chlorobenzofurazan 1-oxide

Chemical Property:

• Vapor Pressure: 0.00438mmHg at 25°C
• Melting Point: 45-48°C
• Boiling Point: 287.1°Cat760mmHg
• Flash Point: 127.4°C
• PSA: 51.49000
• Density: 1.69g/cm³
• LogP: 1.90970
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.9883050
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2,1,3-benzoxadiazole1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=[N+](ON=C2C=C1Cl)[O-]

Technology Process of 5-Chlorobenzofurazan 1-oxide

There total 11 articles about 5-Chlorobenzofurazan 1-oxide 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: 86.0%

2,4-dichloronitrobenzene (611-06-3) → 5-chlorobenzofurazan-1-oxide (17348-69-5)

Guidance literature:

With sodium azide; N-ethyl-N-methylpyrrolidinium tetrafluoroborate; tetrabutylammomium bromide; In water; at 110 ℃; for 8h;

DOI:10.1016/j.mencom.2012.03.015

Reference yield: 79.0%

2-azido-4-chloro-1-nitrobenzene (104503-85-7) → 5-chlorobenzofurazan-1-oxide (17348-69-5)

Guidance literature:

In benzene; Heating;

DOI:10.1071/CH9860089

Reference yield:

5-chloro-2-nitroaniline (1635-61-6) → 5-chlorobenzofurazan-1-oxide (17348-69-5)

Guidance literature:

With potassium hydroxide; sodium hypochlorite; In ethanol;

DOI:10.1021/jm00308a027

upstream raw materials:

[bis(acetoxy)iodo]benzene

5-chloro-2-nitroaniline

4-Chloro-2-nitroaniline

2-azido-4-chloro-1-nitrobenzene

Downstream raw materials:

5-chlorobenzo[c][1,2,5]oxadiazole

benzaldehyde

3-Amino-6-chloro-1,4-dioxy-quinoxaline-2-carbonitrile

5-chloro-2-phenyl-2H-benzotriazole 1-oxide

Refernces

• 1、 Benitez, Diego,Lavaggi, Maria L.,Gambino, Dinorah,Torre, Maria H.,Cerecetto, Hugo,Gonzalez, Mercedes. "Effect of complexation of 3-aminoquinoxaline-2-carbonitrile 1,4-dioxides with palladium and copper on their anti-T. cruzi activity". . p. 1439 - 1444. Retrieved 2012.
• 2、 Aggarwal, Himanshu,Ewa, Augustynowicz-Kopec,G?ogowska, Agnieszka,Ghosh, Balaram,Kumar, Banoth Karan,Murugesan, Sankaranarayanan,Nandikolla, Adinarayana,Pulya, Sravani,Sekhar, Kondapalli Venkata Gowri Chandra,Srinivasarao, Singireddi,Suresh, Amaroju. "Discovery of 1,2,3-triazole based quinoxaline-1,4-di-N-oxide derivatives as potential anti-tubercular agents". . . Retrieved 2020/05/29.