3-Bromofluoranthene

Base Information

• Chemical Name: 3-Bromofluoranthene
• CAS No.: 13438-50-1
• Molecular Formula: C16H9Br
• Molecular Weight: 281.151
• Hs Code.: 2902900000
• European Community (EC) Number: 808-043-4
• DSSTox Substance ID: DTXSID90529497
• Nikkaji Number: J3.384.570G
• Wikidata: Q72455607
• Mol file: 13438-50-1.mol

Synonyms:3-Bromofluoranthene;13438-50-1;MFCD07787460;Fluoranthene, 3-bromo-;4-bromo-fluoranthene;3-Bromo-fluoranthene;SCHEMBL663504;DTXSID90529497;WCXFCLXZMIFHBU-UHFFFAOYSA-N;AMY15174;AKOS015834689;AS-3074;SB66683;SY047609;B4599;CS-0155949;A19578

Chemical Property of 3-Bromofluoranthene

Chemical Property:

• Melting Point: 106.0 to 200.0 °C
• Refractive Index: 1.858
• Boiling Point: 422.5 °C at 760 mmHg
• Flash Point: 209.4 °C
• PSA: 0.00000
• Density: 1.578 g/cm³
• LogP: 5.24970
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 279.98876
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98% ^*data from raw suppliers

3-Bromofluoranthene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
• Uses: 3-Bromofluoranthene is an intermediate in synthesizing 3-Methylfluoranthene (M305315), an environmental pollutant that is an active tumor initiator.

Technology Process of 3-Bromofluoranthene

There total 14 articles about 3-Bromofluoranthene 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: 94.0%

fluoranthene (206-44-0) → 3-bromofluoranthene (13438-50-1)

Guidance literature:

With bromine; In nitrobenzene; at 20 ℃; for 20h;

Reference yield:

3-Brom-2-acetamino-fluoranthen (13823-61-5) → 3-bromofluoranthene (13438-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH, Py / methanol

2: (i) aq. NaNO₂, H₂SO₄, (ii) H₃PO₂

With pyridine; sodium hydroxide; In methanol;

DOI:10.1139/v67-021

Reference yield:

2-Acetamidofluoranthene (13823-55-7) → 3-bromofluoranthene (13438-50-1)

Guidance literature:

Multi-step reaction with 3 steps

1: Br₂ / pyridine

2: NaOH, Py / methanol

3: (i) aq. NaNO₂, H₂SO₄, (ii) H₃PO₂

With pyridine; sodium hydroxide; bromine; In pyridine; methanol;

DOI:10.1139/v67-021

upstream raw materials:

fluoranthene

4-bromo-1,2,3,10b-tetrahydro-fluoranthene

chloranil

m-xylene

Downstream raw materials:

7,12-diphenylbenzo[k]fluoranthene-3-boronic acid

3-(4-chlorophenyl)fluoranthene

Refernces

• 1、 Charlesworth,E.H.,Dolenko,A.J.. "-". . p. 96 - 99. Retrieved 1967.
• 2、 -. "NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME". Paragraph 94; 95. . Retrieved 2013/03/28.
• 3、 Morofuji, Tatsuya,Shimizu, Akihiro,Yoshida, Jun-Ichi. "Metal- and chemical-oxidant-free c-h/c-h cross-coupling of aromatic compounds: The use of radical-cation pools". supporting information; experimental part. p. 7259 - 7262. Retrieved 2012/09/07.