3-Chlorophenanthrene

Base Information

• Chemical Name: 3-Chlorophenanthrene
• CAS No.: 715-51-5
• Molecular Formula: C14H9Cl
• Molecular Weight: 212.678
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID40221717
• Nikkaji Number: J758.109B
• Wikidata: Q72456345
• Mol file: 715-51-5.mol

Synonyms:3-Chlorophenanthrene;715-51-5;Phenanthrene, 3-chloro-;SCHEMBL1758306;DTXSID40221717;BVFJTESUEYBUOL-UHFFFAOYSA-N;AKOS015851114;SB67077;BS-49665;CS-0188418;FT-0698887;FT-0702509;E76171;A850209;J-512324

Chemical Property of 3-Chlorophenanthrene

Chemical Property:

• Vapor Pressure: 2.42E-05mmHg at 25°C
• Refractive Index: 1.717
• Boiling Point: 370.1 °C at 760 mmHg
• Flash Point: 179.2 °C
• PSA: 0.00000
• Density: 1.253 g/cm³
• LogP: 4.64640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 212.0392780
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99.5% ^*data from raw suppliers

3-Chlorophenanthrene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Cl

Technology Process of 3-Chlorophenanthrene

There total 1 articles about 3-Chlorophenanthrene 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:

(4-chlorophenyl)(cinnolin-3-yl)methanone (337512-18-2) → phenanthrene (85-01-8) + anthracene (120-12-7) + 3-chlorophenanthrene (715-51-5) + phenylacetylene (536-74-3)

Guidance literature:

at 900 ℃; for 2.77778E-06h; under 0.02 Torr; Product distribution;

DOI:10.1016/S0040-4020(01)00577-4

Reference yield: 88.0%

3-chlorophenanthrene (715-51-5) → 3-chlorophenanthrene-9,10-dione (56961-99-0)

Guidance literature:

With chromium(VI) oxide; acetic acid; at 100 ℃;

DOI:10.1016/j.bmcl.2007.10.033

Reference yield:

3-chlorophenanthrene (715-51-5) → C22H14BrClO2

Guidance literature:

Multi-step reaction with 3 steps

1.1: dibenzoyl peroxide; N-Bromosuccinimide / dichloromethane / 24 h / 20 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

2.2: 3 h / Inert atmosphere

2.3: Inert atmosphere

3.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water; toluene / 12 h / Reflux

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; potassium carbonate; dibenzoyl peroxide; In tetrahydrofuran; hexane; dichloromethane; water; toluene; 3.1: |Suzuki Coupling;

upstream raw materials:

(4-chlorophenyl)(cinnolin-3-yl)methanone

Downstream raw materials:

3-chlorophenanthrene-9,10-dione

Refernces