2-Benzoyl-4-nitrobenzoic acid

Base Information

• Chemical Name: 2-Benzoyl-4-nitrobenzoic acid
• CAS No.: 2158-91-0
• Molecular Formula: C14H9 N O5
• Molecular Weight: 271.229
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80357867
• Nikkaji Number: J80.405C
• Wikidata: Q82138038
• Mol file: 2158-91-0.mol

Synonyms:2-benzoyl-4-nitrobenzoic acid;2158-91-0;Benzoic acid,2-benzoyl-4-nitro-;CBMicro_048200;Oprea1_196793;SCHEMBL5313439;DTXSID80357867;YZDQOKBFBUAJPD-UHFFFAOYSA-N;MFCD01013732;AKOS022205244;BIM-0048295.P001;FT-0662607;SR-01000213902;SR-01000213902-1

Chemical Property of 2-Benzoyl-4-nitrobenzoic acid

Chemical Property:

• Melting Point: 156-158°C
• Boiling Point: 517.0±45.0 °C(Predicted)
• PKA: 2.62±0.13(Predicted)
• PSA: 100.19000
• Density: 1.413±0.06 g/cm3(Predicted)
• LogP: 3.04720
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 271.04807239
• Heavy Atom Count: 20
• Complexity: 397

Purity/Quality:

97% ^*data from raw suppliers

2-Benzoyl-4-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzoyl-4-nitrobenzoic acid

There total 11 articles about 2-Benzoyl-4-nitrobenzoic acid 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: 39.0%

4-nitrophthalic anhydride (5466-84-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-4-nitro-benzoic acid (2158-91-0) + 2-benzoyl-5-nitro-benzoic acid (2159-46-8)

Guidance literature:

With aluminium trichloride; In benzene; for 12h;

DOI:10.1023/A:1022422311078

Reference yield:

4-nitrophthalic anhydride (5466-84-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-4-nitro-benzoic acid (2158-91-0)

Guidance literature:

With aluminium trichloride;

DOI:10.1007/BF01558892

Reference yield:

(2-methyl-5-nitrophenyl)phenylmethanone (39272-00-9) → 2-benzoyl-4-nitro-benzoic acid (2158-91-0)

Guidance literature:

With nitric acid; at 170 ℃;

DOI:10.1002/hlca.19440270139

upstream raw materials:

4-nitrophthalic anhydride

benzene

(2-methyl-5-nitrophenyl)phenylmethanone

2-nitro-9-phenyl-fluorene

Downstream raw materials:

2-aminoanthraquinone

2-benzoyl-4-hydroxy-benzoic acid

4-amino-2-benzoyl-benzoic acid

4-nitro-o-benzoylbenzoic acid chloride

Refernces