Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

Base Information

• Chemical Name: Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
• CAS No.: 81-45-8
• Molecular Formula: C21H12 Cl N O3
• Molecular Weight: 361.784
• European Community (EC) Number: 201-350-9
• NSC Number: 39954
• DSSTox Substance ID: DTXSID1058846
• Nikkaji Number: J54.486H
• Wikidata: Q81988546
• Mol file: 81-45-8.mol

Synonyms:Chlorobenzone;81-45-8;1-Benzamido-4-chloroanthraquinone;Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-;1-Chloro-4-benzoylaminoanthraquinone;1Ba-4-Xa;1-Chloro-4-benzamidoanthraquinone;4-Benzamido-1-chloroanthraquinone;1-Benzoylamino-4-chloroanthraquinone;N-(4-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide;Anthraquinone, 1-benzamido-4-chloro-;1BA-4-XA [Russian];NSC 39954;N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide;BENZAMIDE, N-(4-CHLORO-1-ANTHRAQUINONYL)-;1-Benzoylamino-2-chloroanthraquinone;EINECS 201-350-9;BRN 2819875;AI3-61825;N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide;1-(Benzoylamino)-2-chloroanthraquinone;N-(4-Chloro-9,10-dioxo-9,10-dihydro-1-anthracenyl)benzamide;NSC39954;SCHEMBL7034212;DTXSID1058846;1-Benzamido-4-chloroanthranquinone;1-Benzoylamino-4-chloranthrachinon;NSC-39954;STK027032;1-Benzoylamino-4-chloro-anthraquinone;AKOS001665942;WLN: L C666 BV IVJ DMVR& GG;LS-26026;CS-0331015;N-(4-chloro-9,10-dioxo-1-anthryl)benzamide;N-(4-chlor-9,10-dihydro-9,10-dioxo-1-anthryl)benzamid;N-(4-Chloro-9,10-dioxo-9,10-dihydro-1-anthracenyl)benzamide #

Chemical Property of Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

Chemical Property:

• Vapor Pressure: 2.26E-10mmHg at 25°C
• Refractive Index: 1.7150 (estimate)
• Boiling Point: 506.2°C at 760 mmHg
• Flash Point: 260°C
• PSA: 63.24000
• Density: 1.447g/cm³
• LogP: 4.44070
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 361.0505709
• Heavy Atom Count: 26
• Complexity: 586

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-4-BENZAMIDOANTHRAQUINONE Aldrich ^*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)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O

Technology Process of Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

There total 4 articles about Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)- 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:

1-amino-9,10-anthracenedione (82-45-1) + benzoyl chloride (98-88-4) → 1-benzamido-4-chloroanthraquinone (81-45-8)

Guidance literature:

With 1,2,3-trichlorobenzene; Einleiten von Chlor in die verduennte oder mit Essigsaeure und Natriumacetat versetzte Reaktionsloesung bei 90-120grad;

Reference yield:

benzoyl chloride (98-88-4) + 1-amino-4-chloroanthraquinone (2872-47-1) → 1-benzamido-4-chloroanthraquinone (81-45-8)

Guidance literature:

With chlorobenzene;

Reference yield:

N-(9,10-dioxo-9,10-dihydro-[1]anthryl)-benzamide (3571-23-1) → 1-benzamido-4-chloroanthraquinone (81-45-8)

Guidance literature:

With sulfuryl dichloride; nitrobenzene;

upstream raw materials:

N-(9,10-dioxo-9,10-dihydro-[1]anthryl)-benzamide

1-amino-9,10-anthracenedione

benzoyl chloride

1-amino-4-chloroanthraquinone

Downstream raw materials:

1-m-anisidino-4-benzoylamino-anthraquinone

1-(2'-chloro-4'-nitroanilino)-4-benzoylaminoanthraquinone

1-amino-4-benzamidoanthraquinone

4,4'-diamino-[1,1'-bianthracene]-9,9',10,10'-tetraone

Refernces