Isopropyl 3-nitro-p-toluate

Base Information

• Chemical Name: Isopropyl 3-nitro-p-toluate
• CAS No.: 22913-12-8
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• Hs Code.: 2916399090
• European Community (EC) Number: 245-320-3
• DSSTox Substance ID: DTXSID80177461
• Nikkaji Number: J318.358K
• Wikidata: Q83047789
• Mol file: 22913-12-8.mol

Synonyms:Isopropyl 3-nitro-p-toluate;propan-2-yl 4-methyl-3-nitrobenzoate;22913-12-8;EINECS 245-320-3;DTXSID80177461;AKOS008948890;4-Methyl-3-nitrobenzoic acid 1-methylethyl ester;W-110555

Chemical Property of Isopropyl 3-nitro-p-toluate

Chemical Property:

• Vapor Pressure: 0.00032mmHg at 25°C
• Boiling Point: 320.3°Cat760mmHg
• Flash Point: 134.3°C
• PSA: 72.12000
• Density: 1.182g/cm³
• LogP: 2.99160
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)OC(C)C)[N+](=O)[O-]

Technology Process of Isopropyl 3-nitro-p-toluate

There total 1 articles about Isopropyl 3-nitro-p-toluate 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:

→ isopropyl 3-nitro-p-toluate (22913-12-8)

Guidance literature:

3-Nitro-p-toluylsaeure, Isopropanol;

DOI:10.1039/j29690000203