3-Nitroacenaphthene

Base Information

• Chemical Name: 3-Nitroacenaphthene
• CAS No.: 3807-77-0
• Molecular Formula: C12H9 N O2
• Molecular Weight: 199.209
• Hs Code.: 2904209090
• NSC Number: 137392
• UNII: 7WSB1KEE1K
• DSSTox Substance ID: DTXSID00191482
• Nikkaji Number: J2.159.816J
• Wikidata: Q27268956
• ChEMBL ID: CHEMBL164578
• Mol file: 3807-77-0.mol

Synonyms:3-Nitroacenaphthene;3807-77-0;3-Nitro-1,2-dihydroacenaphthylene;Acenaphthene, 3-nitro-;1,2-Dihydro-3-nitroacenaphthylene;Acenaphthylene, 1,2-dihydro-3-nitro-;CCRIS 5513;UNII-7WSB1KEE1K;7WSB1KEE1K;NSC 137392;BRN 1876739;AI3-03648;NSC-137392;3-05-00-01783 (Beilstein Handbook Reference);3-Nitro-acenaphthene;NSC137392;Oprea1_328327;CHEMBL164578;SCHEMBL4221299;DTXSID00191482;AKOS000592256;LS-7858;Q27268956

Chemical Property of 3-Nitroacenaphthene

Chemical Property:

• Vapor Pressure: 6.22E-06mmHg at 25°C
• Boiling Point: 389.8°Cat760mmHg
• Flash Point: 200.3°C
• PSA: 45.82000
• Density: 1.357g/cm³
• LogP: 3.36980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

3-Nitroacenaphthene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC3=C2C1=CC=C3)[N+](=O)[O-]
• Uses: 3-Nitroacenaphthene is an impurity of Acenaphthene (D448330), which is a polycyclic aromatic hydrocarbon as carcinogenic agent.

Technology Process of 3-Nitroacenaphthene

There total 3 articles about 3-Nitroacenaphthene 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:

acenaphthene (83-32-9) → 3-nitroacenaphthene (3807-77-0) + 4-nitroacenaphthene (602-87-9)

Guidance literature:

With nitric acid; perfluoro-o-phenylenemercury trimer; sodium chloride; sodium nitrite; In nitrobenzene; benzene; at 21 ℃; for 0.666667h; Product distribution; various reaction conditions;

DOI:10.1007/BF01169740

Reference yield:

acenaphthene (83-32-9) → 3-nitroacenaphthene (3807-77-0) + 4-nitroacenaphthene (602-87-9)

Guidance literature:

at -10 ℃;

DOI:10.1021/jo01084a017

Reference yield:

nitric acid (7697-37-2,78989-43-2) + acetic anhydride (108-24-7) + acenaphthene (83-32-9) → 3-nitroacenaphthene (3807-77-0) + 4-nitroacenaphthene (602-87-9) + 4-nitro-acenaphthene (1015-74-3)

Guidance literature:

DOI:10.1021/jo01084a017

upstream raw materials:

acenaphthene

nitric acid

acetic anhydride

Downstream raw materials:

3-phenyl-acenaphthylene

3-bromoacenaphthene

1,2-dihydro-acenaphthylene-3-amine

2-nitro-naphthalene-1,8-dicarboxylic acid

Refernces

• 1、 Zaraiskii, A. P.,Kachurin, O. I.,Velichko, L. I.,Tikhonova, I. A.,Furin, G. G.,et al.. "Cyclic trimeric perfluoro-o-phenylenemercury as the phase transfer catalyst for nitration with dilute nitric acid". . p. 507 - 508. Retrieved 2007/10/02.