Dinitolmide

Base Information

• Chemical Name: Dinitolmide
• CAS No.: 148-01-6
• Molecular Formula: C8H7N3O5
• Molecular Weight: 225.161
• Hs Code.: 29242990
• European Community (EC) Number: 205-706-4
• ICSC Number: 1552
• NSC Number: 758213
• UNII: AOX68RY4TV
• DSSTox Substance ID: DTXSID6042521
• Nikkaji Number: J2.959I
• Wikipedia: Dinitolmide
• Wikidata: Q4024614
• NCI Thesaurus Code: C79128
• Metabolomics Workbench ID: 45603
• ChEMBL ID: CHEMBL472565
• Mol file: 148-01-6.mol

Synonyms:Coccidot;Dinitolmide;Dinitrotoluamide;Methyldinitrobenzamide;Zoalene

Chemical Property of Dinitolmide

Chemical Property:

• Appearance/Colour: Yellowish, crystalline solid
• Vapor Pressure: 0.00131mmHg at 25°C
• Melting Point: 183-185 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 298 °C at 760 mmHg
• PKA: 13.74±0.50(Predicted)
• Flash Point: 134 °C
• PSA: 134.73000
• Density: 1.52 g/cm³
• LogP: 2.65700
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.03857033
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Zoalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
• Inhalation Risk: A nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
• Uses: Dinitolmide may be used as an analytical reference standard for the quantification of the analyte in animal tissues poultry, livestock, and aquatic tissues using chromatography techniques. A fodder additive for poultry used to prevent coccidiosis infections. Antiprotozoan drug. antiprotozoal

Technology Process of Dinitolmide

There total 5 articles about Dinitolmide 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: 85.9%

2-methyl-3,5-dinitro-benzoyl chloride (39614-85-2) → zoalene (148-01-6)

Guidance literature:

With ammonium hydroxide; ammonium bicarbonate; at 40 ℃; for 0.5h; Large scale;

Reference yield:

3,5-dinitro-o-toluic acid (28169-46-2) → zoalene (148-01-6)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus (V)-chloride

2: ethanol

3: aqueous ammonia

With ammonium hydroxide; ethanol; phosphorus pentachloride;

Reference yield:

ortho-methylbenzoic acid (118-90-1) → zoalene (148-01-6)

Guidance literature:

Multi-step reaction with 4 steps

1: sulfuric acid; nitric acid

2: phosphorus (V)-chloride

3: ethanol

4: aqueous ammonia

With ammonium hydroxide; ethanol; phosphorus pentachloride; sulfuric acid; nitric acid;

upstream raw materials:

2-methyl-3,5-dinitro-benzoyl chloride

2-methyl-3,5-dinitrobenzoic acid ethyl ester

ortho-methylbenzoic acid

3,5-dinitro-o-toluic acid

Downstream raw materials:

3-amino-5-nitro-o-toluamide

5-amino-3-nitro-o-toluamide

2-amino-4,6-dinitrotoluene

Refernces

• 1、 -. "Synthesis method of zoalene". Paragraph 0037; 0041. . Retrieved 2016/11/28.