1-Amino-4-chloroanthraquinone

Base Information

• Chemical Name: 1-Amino-4-chloroanthraquinone
• CAS No.: 2872-47-1
• Molecular Formula: C14H8 Cl N O2
• Molecular Weight: 257.676
• Hs Code.: 2922399090
• NSC Number: 39927
• UNII: 8ZT2BA5NS7
• DSSTox Substance ID: DTXSID50182880
• Nikkaji Number: J485.148J
• Wikidata: Q83053577
• ChEMBL ID: CHEMBL603094
• Mol file: 2872-47-1.mol

Synonyms:1-Amino-4-chloroanthraquinone;1-amino-4-chloroanthracene-9,10-dione;2872-47-1;ANTHRAQUINONE, 1-AMINO-4-CHLORO-;4-Amino-4-chloroanthraquinone;4-Chloro-1-aminoanthraquinone;1-Amino-4-chloro-9,10-anthracenedione;9,10-Anthracenedione, 1-amino-4-chloro-;C.I. 62805;NSC 39927;BRN 0916373;8ZT2BA5NS7;CHEMBL603094;NSC-39927;4-14-00-00440 (Beilstein Handbook Reference);NSC39927;9, 1-amino-4-chloro-;D0H5HP;UNII-8ZT2BA5NS7;SCHEMBL5109323;DTXSID50182880;BDBM50306769;STK238272;1-amino-4-chloroanthra-9,10-quinone;AKOS001595019;1-Amino-4-chloro-9,10-anthraquinone;SB82012;1-amino-4-chloro-anthracene-9,10-dione;LS-20619;EU-0003432;SR-01000080158;SR-01000080158-1

Chemical Property of 1-Amino-4-chloroanthraquinone

Chemical Property:

• Vapor Pressure: 3.64E-10mmHg at 25°C
• Melting Point: 177-178 °C
• Boiling Point: 500.9°Cat760mmHg
• PKA: -1.03±0.20(Predicted)
• Flash Point: 256.7°C
• PSA: 60.16000
• Density: 1.486g/cm³
• LogP: 3.27880
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 257.0243562
• Heavy Atom Count: 18
• Complexity: 384

Purity/Quality:

1-Amino-4-chloroanthracene-9,10-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)N

Technology Process of 1-Amino-4-chloroanthraquinone

There total 22 articles about 1-Amino-4-chloroanthraquinone 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: 86.0%

1-azidoanthracene-9,10-dione (42013-62-7) → 1-amino-4-chloroanthraquinone (2872-47-1)

Guidance literature:

With hydrogenchloride; In acetic acid; Heating;

Reference yield: 82.0%

5-chloro-6H-anthra[1,9-cd]isoxazol-6-one (70730-92-6) + potassium butylxanthate (871-58-9) → Dithiocarbonic acid O-butyl ester S-(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl) ester + 1-amino-4-chloroanthraquinone (2872-47-1)

Guidance literature:

In 1,4-dioxane; for 2h; Ambient temperature;

Reference yield: 79.0%

5-chloro-6H-anthra[1,9-cd]isoxazol-6-one (70730-92-6) + potassium ethyl xanthogenate (140-89-6) → Dithiocarbonic acid O-ethyl ester S-(6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl) ester + 1-amino-4-chloroanthraquinone (2872-47-1)

Guidance literature:

In 1,4-dioxane; for 2h; Ambient temperature;

upstream raw materials:

1-(acetylamino)anthraquinone

1-benzamido-4-chloroanthraquinone

1-Nitro-4-chloroanthraquinone

1-amino-9,10-anthracenedione

Downstream raw materials:

1-amino-4-o-anisidino-anthraquinone

1-amino-4-p-anisidino-anthraquinone

N-(4-amino-9,10-dioxo-9,10-dihydro-[1]anthryl)-anthranilic acid

2-(4-amino-9,10-dioxo-9,10-dihydro-[1]anthrylmercapto)-benzoic acid