3-Bromophenanthrene

Base Information

• Chemical Name: 3-Bromophenanthrene
• CAS No.: 715-50-4
• Molecular Formula: C14H9Br
• Molecular Weight: 257.129
• Hs Code.: 2903998090
• European Community (EC) Number: 695-586-3
• NSC Number: 89103
• DSSTox Substance ID: DTXSID80221716
• Nikkaji Number: J758.111D
• Wikidata: Q72448997
• Mol file: 715-50-4.mol

Synonyms:3-Bromophenanthrene;715-50-4;Phenanthrene, 3-Bromo-;MFCD06797074;NSC89103;NSC 89103;3-Bromophenanthrene, 96%;NCIOpen2_005492;SCHEMBL1527465;BNGNNFQSUWVWCW-UHFFFAOYSA-;DTXSID80221716;BNGNNFQSUWVWCW-UHFFFAOYSA-N;AMY18595;BCP08992;NSC-89103;STL302122;AKOS015835897;AC-32112;AS-47786;SY055580;B2387;FT-0632867;EN300-265830;F16147;A837241;J-512121;F9995-1259;InChI=1/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H

Chemical Property of 3-Bromophenanthrene

Chemical Property:

• Vapor Pressure: 6.28E-06mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.733
• Boiling Point: 389.7 °C at 760 mmHg
• Flash Point: 190.3 °C
• PSA: 0.00000
• Density: 1.479g/cm³
• LogP: 4.75550
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 255.98876
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98% ^*data from raw suppliers

3-Bromophenanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-50/53-41-37/38
• Safety Statements: 22-36/37/39-61-60-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br
• Uses: 3-Bromophenanthrene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Technology Process of 3-Bromophenanthrene

There total 1 articles about 3-Bromophenanthrene 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: 8.0%

(E)-4-bromostilbene (13041-70-8) → cis-stilben (645-49-8) + 3-bromophenanthrene (715-50-4) + (Z)-1-(4-bromophenyl)-2-phenylethylene (4714-24-3,13041-70-8,131899-13-3,132076-37-0,19466-71-8)

Guidance literature:

In 1,4-dioxane; Ambient temperature; Irradiation;

DOI:10.1246/cl.1997.459

Reference yield: 95.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 3-bromophenanthrene (715-50-4) → 3-styrylphenanthrene (83728-73-8)

Guidance literature:

With 2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenylamine; palladium diacetate; potassium carbonate; In N,N-dimethyl acetamide; water; at 140 ℃; for 40h; Inert atmosphere;

DOI:10.3184/174751911X13100589976564

Reference yield: 86.0%

3-bromophenanthrene (715-50-4) + C42H27F3NO4PS → C55H36NOP

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; at 110 ℃; for 6h;

upstream raw materials:

(E)-4-bromostilbene

Downstream raw materials:

phenanthrene-3-carboxylic acid

3-bromophenanthrene-9,10-dione

3-styrylphenanthrene

styrylphenanthrene

Refernces