2-(4-Chloro-3-nitrobenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Chloro-3-nitrobenzoyl)benzoic acid
• CAS No.: 85-54-1
• Molecular Formula: C14H8ClNO5
• Molecular Weight: 305.674
• Hs Code.: 29183000
• European Community (EC) Number: 201-613-8
• NSC Number: 15366
• UNII: 8GY4PM962I
• DSSTox Substance ID: DTXSID1058925
• Nikkaji Number: J39.691E
• Wikidata: Q72455798
• ChEMBL ID: CHEMBL2059070
• Mol file: 85-54-1.mol

Synonyms:2-(4-Chloro-3-nitrobenzoyl)benzoic acid;85-54-1;Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-;3'-Nitro-4'-chlorobenzoylbenzoic acid;C14H8ClNO5;NSC-15366;8GY4PM962I;Benzoic acid, o-(4-chloro-3-nitrobenzoyl)-;EINECS 201-613-8;NSC 15366;2-(4-Chloranyl-3-Nitro-Phenyl)carbonylbenzoic Acid;9FN;NSC15366;UNII-8GY4PM962I;SCHEMBL1285789;CHEMBL2059070;DTXSID1058925;SCHEMBL19334467;4-Chloro-3-nitrobenzoylbenzoicacid;MFCD00007082;2-(4-chlor-3-nitrobenzoyl)benzoesyre;AKOS001019089;2-(4-Chloro-3-nitrobenzoyl)benzoicacid;o-(4-Chloro-3-nitrobenzoyl)benzoic acid;2-(3-nitro-4-chlorobenzoyl)benzoic acid;AS-14264;FT-0618090;2-(4'-chloro-3'-nitrobenzoyl) benzoic acid;EN300-16975;E78104;2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98%;4-Chloro-3-nitrobenzophenone-2'-carboxylic Acid;SR-01000597240;SR-01000597240-1;W-104080;Z56845271;F0850-6872;1-[(4-ethoxyphenyl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-D-prolinamide

Chemical Property of 2-(4-Chloro-3-nitrobenzoyl)benzoic acid

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 7.37E-13mmHg at 25°C
• Melting Point: 198-201 °C
• Boiling Point: 548.4 °C at 760 mmHg
• PKA: 3.15±0.36(Predicted)
• Flash Point: 285.4 °C
• PSA: 100.19000
• Density: 1.499 g/cm³
• LogP: 3.70060
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 305.0091000
• Heavy Atom Count: 21
• Complexity: 436

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chloro-3-nitrobenzoyl)benzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-(4-Chloro-3-nitrobenzoyl)benzoic acid

There total 2 articles about 2-(4-Chloro-3-nitrobenzoyl)benzoic 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: 98.0%

2-(4-chlorobenzoyl)benzoic acid (85-56-3) → 2-(4'-chloro-3'-nitrobenzoyl)benzoic acid (85-54-1)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 5 - 15 ℃; for 1h;

Reference yield:

→ 2-(4'-chloro-3'-nitrobenzoyl)benzoic acid (85-54-1)

Guidance literature:

aus 2-<4-Chlor-benzoyl>-benzoesaeure, konz. wss. HNO3, rauchend. H2SO4 <2,6percent SO3>;

Reference yield: 98.0%

2-(4'-chloro-3'-nitrobenzoyl)benzoic acid (85-54-1) → NSC 74496 (118-04-7)

Guidance literature:

With hydrogen; sodium carbonate; Pt/Al₂O₃; In water; at 60 - 80 ℃; under 15001.2 - 30002.4 Torr;

DOI:10.1023/A:1012491515950

upstream raw materials:

2-(4-chlorobenzoyl)benzoic acid

Downstream raw materials:

2-(3-amino-4-methoxy-benzoyl)-benzoic acid

1-nitro-2-chloroanthraquinone

2-chloro-3-nitro-anthraquinone

2-(3',4'-dichlorobenzoyl)benzoic acid

Refernces