4,6-Dinitro-o-cresol acetate

Base Information

• Chemical Name: 4,6-Dinitro-o-cresol acetate
• CAS No.: 18461-55-7
• Molecular Formula: C9H8N2O6
• Molecular Weight: 240.172
• Hs Code.: 2915390090
• NSC Number: 406132
• UNII: Y7LFF4L39L
• DSSTox Substance ID: DTXSID90939850
• Nikkaji Number: J48.509H
• Wikidata: Q82916410
• Mol file: 18461-55-7.mol

Synonyms:18461-55-7;DNOK-acetat [Czech];(2-methyl-4,6-dinitrophenyl) acetate;4,6-Dinitro-o-cresol acetate;DNOK-acetat;o-CRESOL, 4,6-DINITRO-, ACETATE;Acetic acid 2-methyl-4,6-dinitrophenyl ester;2-methyl-4,6-dinitrophenyl acetate;Phenol, 2-methyl-4,6-dinitro-, acetate (ester);NSC 406132;BRN 1994636;Acetic acid, 4,6-dinitro-o-cresyl ester;4,6-Dinitro-o-tolylester kyseliny octove [Czech];4,6-Dinitro-o-kresylester kyseliny octove [Czech];NSC-406132;Phenol, 2-methyl-4,6-dinitro, acetate;4,6-Dinitro-o-tolylester kyseliny octove;4,6-Dinitro-o-kresylester kyseliny octove;o-Cresol, 4,6-dinitro-, acetate (ester);3-06-00-01278 (Beilstein Handbook Reference);Y7LFF4L39L;o-Cresol, 4,6-dinitro-,;SCHEMBL9243462;DTXSID90939850;OEMKFZGDLXBFNO-UHFFFAOYSA-N;4,6-Dinitro-2-methylphenylacetate;2,4-Dinitro-6-methylphenyl acetate;NSC406132;Phenol,6-dinitro-, acetate (ester);o-Cresol,6-dinitro-, acetate (ester);LS-55392

Chemical Property of 4,6-Dinitro-o-cresol acetate

Chemical Property:

• Vapor Pressure: 4.57E-06mmHg at 25°C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 382.9°Cat760mmHg
• Flash Point: 182°C
• PSA: 117.94000
• Density: 1.437g/cm³
• LogP: 2.78310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 240.03823598
• Heavy Atom Count: 17
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4,6-Dinitro-o-cresol acetate

There total 2 articles about 4,6-Dinitro-o-cresol acetate 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: 68.0%

6-methyl-2,4-dinitrophenol (534-52-1) + acetic anhydride (108-24-7) → 2-methyl-4,6-dinitrophenyl acetate (18461-55-7)

Guidance literature:

Reference yield:

ortho-cresol (95-48-7,77504-84-8) → 2-methyl-4,6-dinitrophenyl acetate (18461-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; nitric acid

2: concentrated sulfuric acid

With sulfuric acid; nitric acid; acetic acid;

Reference yield:

2-methyl-4,6-dinitrophenyl acetate (18461-55-7) → 6-methyl-2,4-dinitrophenol (534-52-1) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With buffer solution; pilocarpine hydrochloride; In water; acetonitrile; at 24.9 ℃; Rate constant; other catalysts, var. pH-values;

upstream raw materials:

6-methyl-2,4-dinitrophenol

acetic anhydride

ortho-cresol

Downstream raw materials:

6-methyl-2,4-dinitrophenol

acetic acid