3-Bromoacenaphthene

Base Information

• Chemical Name: 3-Bromoacenaphthene
• CAS No.: 5209-31-4
• Molecular Formula: C12H9 Br
• Molecular Weight: 233.107
• Hs Code.: 2903999090
• NSC Number: 4032
• UNII: 9KZ79QJE4Z
• DSSTox Substance ID: DTXSID90200077
• Nikkaji Number: J1.196.726D
• Wikidata: Q83073108
• Mol file: 5209-31-4.mol

Synonyms:3-Bromoacenaphthene;5209-31-4;3-bromo-1,2-dihydroacenaphthylene;Acenaphthene, 3-bromo-;Acenaphthylene, 3-bromo-1,2-dihydro-;AI3-00187;NSC-4032;Acenaphthene,3-bromo-;Acenaphthene, 3-bromo- (8CI);NSC4032;NSC 4032;starbld0002968;9KZ79QJE4Z;SCHEMBL4231101;DTXSID90200077

Chemical Property of 3-Bromoacenaphthene

Chemical Property:

• Vapor Pressure: 7.57E-05mmHg at 25°C
• Boiling Point: 352.9°Cat760mmHg
• Flash Point: 169.6°C
• PSA: 0.00000
• Density: 1.542g/cm³
• LogP: 3.70090
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 231.98876
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-1,2-dihydroacenapthylene ^*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)Br

Technology Process of 3-Bromoacenaphthene

There total 5 articles about 3-Bromoacenaphthene 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: 61.0%

1,2-dihydro-acenaphthylene-3-amine (55939-13-4) → 3-bromoacenaphthene (5209-31-4)

Guidance literature:

With hydrogen bromide; sodium hydride; zinc dibromide; In water; at 1 ℃; for 0.5h;

DOI:10.1002/poc.797

Reference yield:

3-nitroacenaphthene (3807-77-0) → 3-bromoacenaphthene (5209-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol / 4 h / 1965.16 Torr

2: 61 percent / NaH; HBr; ZnBr₂ / H₂O / 0.5 h / 1 °C

With hydrogen bromide; hydrogen; sodium hydride; zinc dibromide; palladium on activated charcoal; In ethanol; water;

DOI:10.1002/poc.797

Reference yield:

1,2-dihydro-acenaphthylene-3-amine (55939-13-4) → 3-bromoacenaphthene (5209-31-4)

Guidance literature:

With zinc dibromide; sodium nitrite; Erhitzen des Reaktionsprodukts in Toluol;

upstream raw materials:

1,2-dihydro-acenaphthylene-3-amine

acenaphthene

3-nitroacenaphthene

Downstream raw materials:

acenaphthene

3-phenyl-acenaphthylene

4-bromo-1,8-naphthalene anhydride

Refernces