2-(3-Amino-4-chlorobenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(3-Amino-4-chlorobenzoyl)benzoic acid
• CAS No.: 118-04-7
• Molecular Formula: C14H10ClNO3
• Molecular Weight: 275.691
• Hs Code.: 2922509090
• European Community (EC) Number: 204-230-4
• NSC Number: 74496
• UNII: 25WF7LMF9K
• DSSTox Substance ID: DTXSID9059466
• Nikkaji Number: J193.626C
• Wikidata: Q72434346
• Mol file: 118-04-7.mol

Synonyms:2-(3-Amino-4-chlorobenzoyl)benzoic acid;118-04-7;Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-;o-(3-Amino-4-chlorobenzoyl)benzoic acid;C14H10ClNO3;2-(3'-Amino-4'-chlorobenzoyl)benzoic acid;Benzoic acid, o-(3-amino-4-chlorobenzoyl)-;25WF7LMF9K;2-(3-Amino-4-chlorobenzoyl)benzoic Acid);EINECS 204-230-4;NSC 74496;NSC-74496;2-(3-Amino-4-chloro-benzoyl)benzoic acid;NSC74496;2-(3-Amino-4-chlorobenzoyl)benzoioc acid;UNII-25WF7LMF9K;Oprea1_159790;SCHEMBL614963;DTXSID9059466;MFCD00007672;AKOS000987621;2-(3-Amino-4-chlorobenzoyl)benzoicacid;AC-15866;AS-12897;2-(3-Amino-4-chlorobenzoyl)benzoic acid #;Benzoic acid,2-(3-amino-4-chlorobenzoyl)-;CS-0156716;FT-0608536;O10462;SR-01000025110;SR-01000025110-1;W-108550;Z56754085

Chemical Property of 2-(3-Amino-4-chlorobenzoyl)benzoic acid

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 1.97E-12mmHg at 25°C
• Melting Point: 181.5-182.0 °C(Solv: ethanol (64-17-5))
• Boiling Point: 538.6 °C at 760 mmHg
• PKA: 3.24±0.36(Predicted)
• Flash Point: 279.5 °C
• PSA: 80.39000
• Density: 1.418 g/cm³
• LogP: 3.43260
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 275.0349209
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

98.0% ^*data from raw suppliers

2-(3-amino-4-chlorobenzoyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)N)C(=O)O
• Uses: 2-(3-Amino-4-chlorobenzoyl)benzoic Acid is a useful synthetic intermediate. It is used to prepare protein kinase C phosphorylates synthetic fluorescent reporter.

Technology Process of 2-(3-Amino-4-chlorobenzoyl)benzoic acid

There total 3 articles about 2-(3-Amino-4-chlorobenzoyl)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'-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

Reference yield:

2-(4-chlorobenzoyl)benzoic acid (85-56-3) → NSC 74496 (118-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NO₂/HNO₃ / Ambient temperature

2: SnCl₂, aq. HCl / ethanol

With hydrogenchloride; nitric acid; Nitrogen dioxide; tin(ll) chloride; In ethanol;

DOI:10.1021/jm00329a029

Reference yield:

→ NSC 74496 (118-04-7)

Guidance literature:

2-<4-Chlor-3-nitro-benzoyl>-benzoesaeure, Fe / wss.HCl;

upstream raw materials:

2-(4'-chloro-3'-nitrobenzoyl)benzoic acid

2-(4-chlorobenzoyl)benzoic acid

Downstream raw materials:

2-amino-3-chloro-9,10-anthracenedione

1-amino-2-chloro-9,10-anthraquinone

2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonic acid amide

2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonyl chloride

Refernces

• 1、 Zhandarev,Kazin,Mironov. "Catalytic liquid-phase reduction of aromatic nitro compounds containing highly reactive functional groups". . p. 673 - 676. Retrieved 2007/10/03.