Benzofurazan, 4-nitro-7-phenylthio-, 1-oxide

Base Information

• Chemical Name: Benzofurazan, 4-nitro-7-phenylthio-, 1-oxide
• CAS No.: 18378-06-8
• Molecular Formula: C₁₂H₇N₃O₄S
• Molecular Weight: 289.271
• Hs Code.: 2934999090
• NSC Number: 228112
• UNII: 7VJ3WXH9NU
• DSSTox Substance ID: DTXSID10171472
• Wikidata: Q83041544
• Mol file: 18378-06-8.mol

Synonyms:BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE;18378-06-8;4-Nitro-7-phenylthiobenzofurazan 1-oxide;NSC 228112;BRN 1627336;7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium;Benzofurazan, 4-nitro-7-(phenylthio)-, 1-oxide;NSC-228112;NSC228112;7VJ3WXH9NU;C12H7N3O4S;DTXSID10171472;LS-35385;2,1,3-Benzoxadiazole, 4-nitro-7-(phenylthio)-, 1-oxide;4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide

Chemical Property of Benzofurazan, 4-nitro-7-phenylthio-, 1-oxide

Chemical Property:

• Vapor Pressure: 2.26E-10mmHg at 25°C
• Boiling Point: 519.4°Cat760mmHg
• Flash Point: 267.9°C
• PSA: 122.61000
• Density: 1.61g/cm³
• LogP: 3.83890
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 289.01572689
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Technology Process of Benzofurazan, 4-nitro-7-phenylthio-, 1-oxide

There total 6 articles about Benzofurazan, 4-nitro-7-phenylthio-, 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:

5-chlorobenzofurazan-1-oxide (17348-69-5) → 4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide (18378-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃, H₂SO₄

2: Py / ethanol

With pyridine; sulfuric acid; nitric acid; In ethanol;

DOI:10.1021/jm00308a027

Reference yield:

4-chlorobenzofuroxan (94897-04-8) → 4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide (18378-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃, H₂SO₄

2: Py / ethanol

With pyridine; sulfuric acid; nitric acid; In ethanol;

DOI:10.1021/jm00308a027

Reference yield:

5-chloro-2-nitroaniline (1635-61-6) → 4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide (18378-06-8)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH, NaOCl / aq. ethanol

2: HNO₃, H₂SO₄

3: Py / ethanol

With pyridine; potassium hydroxide; sodium hypochlorite; sulfuric acid; nitric acid; In ethanol;

DOI:10.1021/jm00308a027

upstream raw materials:

thiophenol

4-chloro-7-nitrobenzofurazan N-oxide

4-Nitro-5-chlorobenzofuroxane

5-chlorobenzofurazan-1-oxide