2,4-Dinitrophenyl butyrate

Base Information

• Chemical Name: 2,4-Dinitrophenyl butyrate
• CAS No.: 24273-19-6
• Molecular Formula: C10H10 N2 O6
• Molecular Weight: 254.199
• NSC Number: 53059
• DSSTox Substance ID: DTXSID8066975
• Nikkaji Number: J422.136B
• Wikidata: Q72513825
• Mol file: 24273-19-6.mol

Synonyms:2,4-Dinitrophenyl butyrate;24273-19-6;(2,4-dinitrophenyl) butanoate;Butanoic acid, 2,4-dinitrophenyl ester;BUTANOIC ACID 2,4-DINITROPHENYL ESTER;NSC 53059;Butyric acid, 2,4-dinitrophenyl ester;AI3-18402;NSC53059;DTXSID8066975;Butyric acid,4-dinitrophenyl ester;Butanoic acid,4-dinitrophenyl ester;AC5705;MFCD00434348;NSC-53059;AKOS015890828;SY078692;CS-0336257;A918770;W-202010

Chemical Property of 2,4-Dinitrophenyl butyrate

Chemical Property:

• Vapor Pressure: 3.62E-06mmHg at 25°C
• Boiling Point: 386.1°Cat760mmHg
• Flash Point: 175.6°C
• PSA: 117.94000
• Density: 1.383g/cm³
• LogP: 3.25490
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 254.05388604
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dinitrophenyl butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 2,4-Dinitrophenyl Butyrate can be used as potential fungicides for apple mildew.

Technology Process of 2,4-Dinitrophenyl butyrate

There total 4 articles about 2,4-Dinitrophenyl butyrate 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:

butyryl chloride (141-75-3) + phenol (108-95-2,27073-41-2) → 2,4-dinitrophenyl butanoate (24273-19-6)

Guidance literature:

Multistep reaction; (i) (nitration) , (ii) /BRN= 605395/;

DOI:10.1039/jr9620000519

Reference yield:

2,4-Dinitrophenol (51-28-5) + butyryl chloride (141-75-3) → 2,4-dinitrophenyl butanoate (24273-19-6)

Guidance literature:

zeitlicher Verlauf;

Reference yield:

2,4-Dinitrophenol (51-28-5) + tetramethlyammonium chloride (75-57-0) + butyryl chloride (141-75-3) → 2,4-dinitrophenyl butanoate (24273-19-6)

Guidance literature:

zeitlicher Verlauf;

upstream raw materials:

2,4-Dinitrophenol

tetramethlyammonium chloride

butyryl chloride

phenol

Downstream raw materials:

2,4-dinitrophenolate

N,N-diisopropylbutyramide

2,4-Dinitrophenol

butyric acid

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