4-Nitro-1,2-dihydroacenaphthylen-5-amine

Base Information

• Chemical Name: 4-Nitro-1,2-dihydroacenaphthylen-5-amine
• CAS No.: 4657-95-8
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.224
• European Community (EC) Number: 636-923-6
• NSC Number: 400244
• DSSTox Substance ID: DTXSID50322027
• Nikkaji Number: J36.347B
• Wikidata: Q82080315
• ChEMBL ID: CHEMBL1986798
• Mol file: 4657-95-8.mol

Synonyms:4657-95-8;4-nitro-1,2-dihydroacenaphthylen-5-amine;MLS003171483;5-Amino-4-nitroacenaphthene;NSC400244;5-Acenaphthenamine, 4-nitro-;CHEMBL1986798;DTXSID50322027;AKOS024332330;NSC 400244;NSC-400244;SB78885;NCI60_003732;SMR001875369

Chemical Property of 4-Nitro-1,2-dihydroacenaphthylen-5-amine

Chemical Property:

• Vapor Pressure: 6.21E-08mmHg at 25°C
• Boiling Point: 439.8°C at 760 mmHg
• Flash Point: 219.8°C
• Density: 1.437g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-]

Technology Process of 4-Nitro-1,2-dihydroacenaphthylen-5-amine

There total 4 articles about 4-Nitro-1,2-dihydroacenaphthylen-5-amine 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:

5-acetamidoacenaphthene (4657-94-7) → 4-nitro-acenaphthen-5-ylamine (4657-95-8)

Guidance literature:

Multistep reaction; (i) aq. HNO₃, AcOH, (ii) aq. H₂SO₄, EtOH;

DOI:10.1016/S0040-4020(01)96925-X

Reference yield:

4-nitro-5-acetamidoacenaphthene (4889-61-6) → 4-nitro-acenaphthen-5-ylamine (4657-95-8)

Guidance literature:

With hydrogenchloride;

Reference yield:

N-(4-nitro-acenaphthen-5-yl)-formamide (7599-10-2) → 4-nitro-acenaphthen-5-ylamine (4657-95-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

4-nitro-5-acetamidoacenaphthene

N-(4-nitro-acenaphthen-5-yl)-formamide

5-acetamidoacenaphthene

Downstream raw materials:

N-(4-nitro-acenaphthen-5-yl)-benzamide

N-(4-nitro-acenaphthen-5-yl)-benzenesulfonamide

4-bromo-3-nitro-1,8-naphthalic anhydride

N,N'-acenaphthene-4,5-diyl-bis-benzamide

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