1,2-Naphthalenedione, 4-(1-aziridinyl)-

Base Information

• Chemical Name: 1,2-Naphthalenedione, 4-(1-aziridinyl)-
• CAS No.: 439-55-4
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.2054
• NSC Number: 139347
• UNII: JVL856D8DG
• DSSTox Substance ID: DTXSID20195982
• Wikidata: Q83069064
• ChEMBL ID: CHEMBL1890961

Synonyms:4-Ethyleniminonaphthoquinone-1,2;1,2-Naphthalenedione, 4-(1-aziridinyl)-;4-(1-Aziridinyl)-1,2-naphthalenedione;439-55-4;MLS002920479;1,2-NAPHTHOQUINONE, 4-(1-AZIRIDINYL)-;NSC 139347;BRN 0163449;JVL856D8DG;4-(aziridin-1-yl)naphthalene-1,2-dione;4-Aethylenimino-naphtochinon-1,2 [German];AI3-52969;4-Aethylenimino-naphtochinon-1,2;NSC-139347;SMR001798069;5-20-01-00036 (Beilstein Handbook Reference);NSC139347;UNII-JVL856D8DG;cid_9922;1, 4-(1-aziridinyl)-;CHEMBL1890961;BDBM89220;DTXSID20195982;4-ethylenimino-1,2-naphthoquinone;4-(1-aziridinyl)naphthalene-1,2-dione;LS-95616;1,2-Naphthalenedione, 4-(1-aziridinyl)- (9CI);AZIRIDINYL)-1,2-NAPHTHALENEDIONE, 4-(1-

Chemical Property of 1,2-Naphthalenedione, 4-(1-aziridinyl)-

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Boiling Point: 364.5°C at 760 mmHg
• Flash Point: 174.1°C
• Density: 1.438g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=CC(=O)C(=O)C3=CC=CC=C32

Technology Process of 1,2-Naphthalenedione, 4-(1-aziridinyl)-

There total 3 articles about 1,2-Naphthalenedione, 4-(1-aziridinyl)- 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: 51.0%

ethyleneimine (151-56-4,9002-98-6) + 3,4-dioxo-3,4-dihydro-naphthalene-1-sulfonic acid (2066-93-5) → 4-(1-aziridinyl)-1,2-naphthoquinone (439-55-4)

Guidance literature:

With sodium phosphate; In water; for 0.166667h; pH 10.5 - 11.5;

DOI:10.1021/ac00245a021

Reference yield:

ethyleneimine (151-56-4,9002-98-6) → 4-(1-aziridinyl)-1,2-naphthoquinone (439-55-4)

Guidance literature:

With water;

Reference yield:

→ 4-(1-aziridinyl)-1,2-naphthoquinone (439-55-4)

Guidance literature:

1.2-Naphthochinon-4-sulfonsaurem Natrium, entspr. Amin;

DOI:10.1021/jm00295a026

upstream raw materials:

ethyleneimine

3,4-dioxo-3,4-dihydro-naphthalene-1-sulfonic acid

Downstream raw materials:

4-aziridin-1-yl-naphthalene-1,2-diol

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