BENZOIC ACID, o-(2,4-DINITROPHENOXY)-

Base Information

• Chemical Name: BENZOIC ACID, o-(2,4-DINITROPHENOXY)-
• CAS No.: 7504-64-5
• Molecular Formula: C₁₃H₈N₂O₇
• Molecular Weight: 304.216
• NSC Number: 407875
• UNII: FET76BW89N
• DSSTox Substance ID: DTXSID40226005
• Nikkaji Number: J42.699G
• Wikidata: Q83105239
• Mol file: 7504-64-5.mol

Synonyms:2-(2,4-dinitrophenoxy)benzoic acid;7504-64-5;BENZOIC ACID, o-(2,4-DINITROPHENOXY)-;Benzoic acid, 2-(2,4-dinitrophenoxy)-;o-(2,4-Dinitrophenoxy)benzoic acid;NSC 407875;BRN 3450672;NSC-407875;3-10-00-00099 (Beilstein Handbook Reference);NSC407875;FET76BW89N;WLN: WNR CNW DOR BVQ;Benzoic acid,4-dinitrophenoxy)-;DTXSID40226005;LS-37302

Chemical Property of BENZOIC ACID, o-(2,4-DINITROPHENOXY)-

Chemical Property:

• Vapor Pressure: 1.03E-08mmHg at 25°C
• Boiling Point: 445.3°Cat760mmHg
• Flash Point: 223.1°C
• PSA: 138.17000
• Density: 1.55g/cm³
• LogP: 4.03990
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 304.03315060
• Heavy Atom Count: 22
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of BENZOIC ACID, o-(2,4-DINITROPHENOXY)-

There total 2 articles about BENZOIC ACID, o-(2,4-DINITROPHENOXY)- 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:

2-(2',4'-dinitrophenoxy)-benzoic acid methylester (2363-41-9) → 2-(2,4-dinitro-phenoxy)-benzoic acid (7504-64-5)

Guidance literature:

With sulfuric acid; anschliessend Versetzen mit Wasser;

DOI:10.1039/jr9380002052

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2,4-dinitro-phenoxy)-benzoic acid (7504-64-5)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: sulfuric acid / anschliessend Versetzen mit Wasser

With methanol; sulfuric acid;

DOI:10.1039/jr9380002052

Reference yield:

2-(2,4-dinitro-phenoxy)-benzoic acid (7504-64-5) → 2-(2,4-dinitro-phenoxy)-benzoic acid amide (438540-50-2)

Guidance literature:

With aluminium trichloride; thionyl chloride; Einleiten von Ammoniak in eine Loesung des Reaktionsprodukts in Benzol;

DOI:10.1039/jr9380002052

upstream raw materials:

2-(2',4'-dinitrophenoxy)-benzoic acid methylester

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

2-(2,4-dinitro-phenoxy)-benzoic acid amide

N-(2,4-dinitrophenyl)-2-hydroxybenzamide