Benzoic acid, 3,5-dinitro-, hexyl ester

Base Information

• Chemical Name: Benzoic acid, 3,5-dinitro-, hexyl ester
• CAS No.: 10478-04-3
• Molecular Formula: C13H16 N2 O6
• Molecular Weight: 296.28
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30146723
• Wikidata: Q83011592
• Mol file: 10478-04-3.mol

Synonyms:hexyl 3,5-dinitrobenzoate;Benzoic acid, 3,5-dinitro-, hexyl ester;10478-04-3;n-hexyl-3,5-dinitrobenzoate;SCHEMBL9678194;DTXSID30146723;AKOS000277371

Chemical Property of Benzoic acid, 3,5-dinitro-, hexyl ester

Chemical Property:

• Vapor Pressure: 4.68E-07mmHg at 25°C
• Boiling Point: 413.8°C at 760 mmHg
• Flash Point: 169.6°C
• PSA: 117.94000
• Density: 1.268g/cm³
• LogP: 4.28650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 296.10083623
• Heavy Atom Count: 21
• Complexity: 354

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzoic acid, 3,5-dinitro-, hexyl ester

There total 1 articles about Benzoic acid, 3,5-dinitro-, hexyl ester 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:

→ 3,5-dinitro-benzoic acid hexyl ester (10478-04-3)

Guidance literature:

/BRN= 1252593/;