5-Bromo-6-nitro-1,2-dihydroacenaphthylene

Base Information

• Chemical Name: 5-Bromo-6-nitro-1,2-dihydroacenaphthylene
• CAS No.: 4889-63-8
• Molecular Formula: C12H8 Br N O2
• Molecular Weight: 278.1014
• NSC Number: 137425
• DSSTox Substance ID: DTXSID20300514
• Nikkaji Number: J2.382.639I
• Wikidata: Q82043621
• Mol file: 4889-63-8.mol

Synonyms:5-bromo-6-nitro-1,2-dihydroacenaphthylene;4889-63-8;Acenaphthylene,5-bromo-1,2-dihydro-6-nitro-;NSC 137425;NSC137425;5-Bromo-6-nitroacenaphthene;DTXSID20300514;CCG-47355;MFCD00266665;NSC-137425;SY291987;SR-01000636975-1

Chemical Property of 5-Bromo-6-nitro-1,2-dihydroacenaphthylene

Chemical Property:

• Vapor Pressure: 8.57E-07mmHg at 25°C
• Boiling Point: 417.4°C at 760 mmHg
• Flash Point: 206.3°C
• Density: 1.706g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.97384
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-6-nitro-1,2-dihydroacenaphthylene

There total 7 articles about 5-Bromo-6-nitro-1,2-dihydroacenaphthylene 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: 94.3%

5-bromoacenaphthene (2051-98-1) → 4‐bromo‐5‐nitroacenaphthene (4889-63-8)

Guidance literature:

With aluminum(III) nitrate nonahydrate; copper(II) nitrate trihydrate; acetic acid; at 50 ℃; for 4h; Reagent/catalyst; Temperature;

Reference yield: 68.0%

4-bromo-acenaphthene (4657-98-1) → 4‐bromo‐5‐nitroacenaphthene (4889-63-8)

Guidance literature:

With nitric acid; acetic acid; In N,N-dimethyl-formamide; for 16h;

DOI:10.1002/chem.201705546

Reference yield: 53.4%

5-bromoacenaphthene (2051-98-1) + nitric acid (7697-37-2,78989-43-2) → 4‐bromo‐5‐nitroacenaphthene (4889-63-8)

Guidance literature:

In acetic acid; at 20 ℃; for 10h;

DOI:10.1039/c4dt01732c

upstream raw materials:

5-bromoacenaphthene

nitric acid

acetic acid

2.2a.3.4.5.6-Hexabrom-2a.3.4.5-tetrahydroacenaphthen

Downstream raw materials:

5,6-dibromoacenaphthene

Refernces

• 1、 -. "Preparation method 4 - bromo -5 - nitro -1, 8 - naphthalene anhydride (by machine translation)". Paragraph 0032-0042. . Retrieved 2020/07/15.
• 2、 Leslie, Kathryn G.,Jacquemin, Denis,New, Elizabeth J.,Jolliffe, Katrina A.. "Expanding the Breadth of 4-Amino-1,8-naphthalimide Photophysical Properties through Substitution of the Naphthalimide Core". . p. 5569 - 5573. Retrieved 2018/03/21.