Benzofurazan, 5-methyl-4-nitro-, 1-oxide

Base Information

• Chemical Name: Benzofurazan, 5-methyl-4-nitro-, 1-oxide
• CAS No.: 18378-12-6
• Molecular Formula: C7H5N3O4
• Molecular Weight: 195.1323
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70171473
• Nikkaji Number: J41.237F
• Wikidata: Q83041546
• Mol file: 18378-12-6.mol

Synonyms:BENZOFURAZAN, 5-METHYL-4-NITRO-, 1-OXIDE;18378-12-6;5-Methyl-4-nitrobenzofurazan oxide;BRN 0219351;4-Nitro-5-methylbenzfurazan oxide;5-methyl-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium;DTXSID70171473;4-Nitro-5-methylbenzofurazane 1-oxide;LS-35370

Chemical Property of Benzofurazan, 5-methyl-4-nitro-, 1-oxide

Chemical Property:

• Vapor Pressure: 5.15E-05mmHg at 25°C
• Boiling Point: 358.8°Cat760mmHg
• Flash Point: 170.8°C
• PSA: 97.31000
• Density: 1.74g/cm³
• LogP: 1.99610
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 195.02800565
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=NO[N+](=C2C=C1)[O-])[N+](=O)[O-]

Technology Process of Benzofurazan, 5-methyl-4-nitro-, 1-oxide

There total 6 articles about Benzofurazan, 5-methyl-4-nitro-, 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-methylbenzofuroxan (19164-41-1) → 5-Methyl-4-nitro-benzofuroxan (18378-12-6)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01637a063

Reference yield:

4-azido-3-nitro-toluene (20615-75-2) → 5-Methyl-4-nitro-benzofuroxan (18378-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid

2: HNO₃, H₂SO₄

With sulfuric acid; nitric acid; In acetic acid;

DOI:10.1021/jm00308a027

Reference yield:

5-methyl-2-nitroazidobenzene (54948-54-8) → 5-Methyl-4-nitro-benzofuroxan (18378-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid

2: HNO₃, H₂SO₄

With sulfuric acid; nitric acid; In acetic acid;

DOI:10.1021/jm00308a027

upstream raw materials:

5-methylbenzofuroxan

4-azido-3-nitro-toluene

5-methyl-2-nitroazidobenzene