Benzofurazan, 4-chloro-7-nitro-, 3-oxide

Base Information

• Chemical Name: Benzofurazan, 4-chloro-7-nitro-, 3-oxide
• CAS No.: 18378-13-7
• Molecular Formula: C6H2ClN3O4
• Molecular Weight: 215.5508
• NSC Number: 228080
• UNII: UAK4GQ5BYC
• DSSTox Substance ID: DTXSID30171474
• Wikidata: Q83041547
• Mol file: 18378-13-7.mol

Synonyms:18378-13-7;BENZOFURAZAN, 4-CHLORO-7-NITRO-, 3-OXIDE;4-Chloro-7-nitrobenzofurazan 3-oxide;UAK4GQ5BYC;NSC 228080;BRN 0533927;NSC-228080;7-chloro-4-nitro-2,1,3-benzoxadiazole 1-oxide;NSC228080;UNII-UAK4GQ5BYC;C6H2ClN3O4;SCHEMBL3509562;C6-H2-Cl-N3-O4;DTXSID30171474;STK327650;AKOS000631941;LS-35359;AB00073860-01;2,1,3-Benzoxadiazole, 4-chloro-7-nitro-, 3-oxide

Chemical Property of Benzofurazan, 4-chloro-7-nitro-, 3-oxide

Chemical Property:

• Vapor Pressure: 6.87E-06mmHg at 25°C
• Boiling Point: 388.4°C at 760 mmHg
• Flash Point: 188.7°C
• Density: 2.03g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 214.9733832
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=NO[N+](=C2C(=C1)Cl)[O-])[N+](=O)[O-]

Technology Process of Benzofurazan, 4-chloro-7-nitro-, 3-oxide

There total 1 articles about Benzofurazan, 4-chloro-7-nitro-, 3-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:

4-chlorobenzofuroxan (94897-04-8) → 4-chloro-7-nitrobenzofurazan N-oxide (18378-13-7)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jm00308a027

Reference yield: 69.0%

p-toluidine (106-49-0,12221-03-3) + 4-chloro-7-nitrobenzofurazan N-oxide (18378-13-7) → 4-nitro-7-(p-tolylamino)benzofuroxan

Guidance literature:

In aq. phosphate buffer; acetonitrile; for 0.5h;

DOI:10.1021/jf402388x

Reference yield: 56.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + 4-chloro-7-nitrobenzofurazan N-oxide (18378-13-7) → 7-(2-Hydroxyphenoxy)-4-nitrobenzofuroxane

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

upstream raw materials:

4-chlorobenzofuroxan

Downstream raw materials:

(4-methoxy-phenyl)-(7-nitro-3-oxy-benzo[1,2,5]oxadiazol-4-yl)-amine

4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide

7-Dimethylamino-4-nitro-benzofuroxan

(7-nitro-3-oxy-benzo[1,2,5]oxadiazol-4-yl)-phenyl-amine