5-Nitroacenaphthene

Base Information

• Chemical Name: 5-Nitroacenaphthene
• CAS No.: 602-87-9
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.209
• Hs Code.: 29049090
• European Community (EC) Number: 210-025-0
• NSC Number: 22421,1312
• UN Number: 2811
• UNII: F023F6C79X
• DSSTox Substance ID: DTXSID3020960
• Nikkaji Number: J40.490J
• Wikidata: Q27155891
• ChEMBL ID: CHEMBL423081
• Mol file: 602-87-9.mol

Synonyms:5-nitroacenaphthene

Chemical Property of 5-Nitroacenaphthene

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 1.1E-05mmHg at 25°C
• Melting Point: 100-101 °C
• Refractive Index: 1.763
• Boiling Point: 377.5 °C at 760 mmHg
• Flash Point: 191.8 °C
• PSA: 45.82000
• Density: 1.357 g/cm³
• LogP: 3.36980
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 273
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

5-Nitroacenaphthene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 45
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1CC2=CC=C(C3=CC=CC1=C23)[N+](=O)[O-]
• Uses: 5-Nitroacenaphthene is a derivative of acenaphthene, a polycyclic hydrocarbon that has potential to act as polyploidizing agents in plants.

Technology Process of 5-Nitroacenaphthene

There total 12 articles about 5-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: 96.5%

acenaphthene (83-32-9) → 4-nitroacenaphthene (602-87-9)

Guidance literature:

With Iron(III) nitrate nonahydrate; acetic acid; at 35 ℃; for 5h; Reagent/catalyst; Temperature;

Reference yield:

acenaphthene (83-32-9) → 4-nitroacenaphthene (602-87-9)

Guidance literature:

With Petroleum ether; at -10 ℃;

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

upstream raw materials:

acenaphthene

6-nitro-acenaphthen-5-ylamine

diethyl ether

acetic acid

Downstream raw materials:

4-nitro-1,8-naphthalenedicarboxylic acid

3,6-dinitroacenaphthene

5-aminoacenaphthene

1-Brom-5-nitro-acenaphthen

Refernces

• 1、 Lv, Xue Wei,Wang, Guang Ke,Zou, Xiao Ju,Xie, Xiao Guang,Zhou, Ying. "Study of a 1,8-naphtylimide derivative as uridine diphosphate selective probe: Synthesis, optical properties and in?vivo imaging application". . p. 552 - 557. Retrieved 2017.
• 2、 Bhatta, Sushil Ranjan,Mondal, Bijan,Vijaykumar, Gonela,Thakur, Arunabha. "ICT-Isomerization-Induced Turn-On Fluorescence Probe with a Large Emission Shift for Mercury Ion: Application in Combinational Molecular Logic". . p. 11577 - 11590. Retrieved 2017.
• 3、 Bojinov, Vladimir B.,Georgiev, Nikolai I.,Sakr, Alaa R.. "Design, photochemistry and antibacterial evaluation of novel light-harvesting antenna". supporting information. p. 1 - 9. Retrieved 2020/07/14.
• 4、 Li, Linrong,Li, Yingguang,Liu, Hanfang,Ma, Jing,Niu, Jie,Xie, Songqiang,Yue, Kexin. "A Pt(IV)-based mononitro-naphthalimide conjugate with minimized side-effects targeting DNA damage response via a dual-DNA-damage approach to overcome cisplatin resistance". . . Retrieved 2020/07/03.