9-Bromophenanthrene

Base Information

• Chemical Name: 9-Bromophenanthrene
• CAS No.: 573-17-1
• Molecular Formula: C14H9Br
• Molecular Weight: 257.129
• Hs Code.: 29036990
• European Community (EC) Number: 209-351-6
• NSC Number: 400708
• UNII: N4XAW27Z35
• DSSTox Substance ID: DTXSID4049321
• Nikkaji Number: J69.557B
• ChEMBL ID: CHEMBL3188808
• Mol file: 573-17-1.mol

Synonyms:9-Bromophenanthrene;573-17-1;PHENANTHRENE, 9-BROMO-;9-Phenanthryl bromide;9-Phenathryl bromide;9-Bromo-phenanthrene;EINECS 209-351-6;MFCD00001174;NSC 400708;BRN 1869927;AI3-03652;N4XAW27Z35;DTXSID4049321;NSC-400708;9-Bromphenanthren;9-bromophenathrene;9-bromanylphenanthrene;Brc1cc2ccccc2c3ccccc13;9-Bromophenanthrene, 96%;UNII-N4XAW27Z35;SCHEMBL184768;CHEMBL3188808;DTXCID9029277;Tox21_202933;NSC400708;AKOS005137885;AC-1653;CS-W012551;OL10156;SB66961;NCGC00260479-01;CAS-573-17-1;DS-18399;SY033186;LS-102608;B0838;FT-0621632;EN300-243226;A831390;W-105473

Chemical Property of 9-Bromophenanthrene

Chemical Property:

• Appearance/Colour: yellow cystalline powder
• Melting Point: 60-64 °C(lit.)
• Refractive Index: 1.6404 (estimate)
• Boiling Point: 389.7 °C at 760 mmHg
• Flash Point: 190.3 °C
• PSA: 0.00000
• Density: 1.479 g/cm³
• LogP: 4.75550
• Storage Temp.: Store below +30°C.
• Solubility.: chloroform: 50 mg/mL, clear
• 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:

99% ^*data from raw suppliers

9-Bromophenanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br
• Uses: 9-Bromophenanthrene is used as halogenated building block. Isotope labelled 9-Bromophenanthrene (B687200), a halogenated polycyclic aromatic hydrocarbon that has been seen to have a room temperature phosphorescence that can be induced by β-cyclodextrin (β-CD) in the presence of cyclohexane; however, trace Fe(III) causes a decrease of the RTP emission.

Technology Process of 9-Bromophenanthrene

There total 22 articles about 9-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: 97.0%

phenanthrene (85-01-8) → 9-bromophenanthrene (573-17-1)

Guidance literature:

With aluminum oxide; copper(ll) bromide; In chlorobenzene; at 80 ℃; for 2h;

DOI:10.1021/ol035147k

Reference yield: 36.0%

phenanthrene (85-01-8) → 9-bromophenanthrene (573-17-1) + 9,10-dibromo-9,10-dihydrophenanthrene

Guidance literature:

With bromine; In Hexadecane; for 480h; Cooling;

DOI:10.1021/ol801327n

Reference yield: 18.0%

9-iodo-phenanthrene (17024-12-3) → 9-bromophenanthrene (573-17-1)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 60h;

DOI:10.1039/c3sc52054d

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

phenanthrene

9,10-dibromo-9,10-dihydro-phenanthrene

Downstream raw materials:

phenanthrene

phenanthrene-9-sulfonic acid

9-Aminophenanthrene

3-Nitrophenanthraquinone

Refernces

A facile and versatile electro-reductive system for hydrodefunctionalization under ambient conditions

10.1039/d1gc00317h

The study presents a versatile electro-reductive system for hydrodefunctionalization under ambient conditions, using triethylamine (Et3N) as a sacrificial reductant. This system allows for the cleavage of various bonds, including C–halogen, N–S, N–C, O–S, O–C, C–C, and C–N bonds. The reduction selectivity can be conveniently switched by incorporating or removing an alcohol as a co-solvent. The study explores the optimal conditions for the selective electrochemical reduction using 9-bromophenanthrene as a model substrate. It demonstrates the scope of the system with various bromides, iodides, chlorides, and other functional groups, showing good to excellent yields. Deuterium labeling experiments indicate that the solvent is the major hydrogen source in the reduction process. The study concludes that this electrochemical system is operationally simple, sustainable, and of considerable synthetic value in green chemistry.

Direct Exploitation of the Ethynyl Moiety in Calcium Carbide Through Sealed Ball Milling

10.1002/ejoc.202000612

The study explores a novel method for the direct exploitation of the ethynyl moiety in calcium carbide (CaC2) through sealed ball milling, which allows for the reaction of CaC2 with organic electrophiles without the need for additives or catalysts. The primary chemicals used in the study include calcium carbide (CaC2) and various ketones, such as benzophenone, 2-naphthyl phenyl ketone, 4,4′-dichlorobenzophenone, and others, which serve as substrates for ethynylation reactions. Additionally, aryl halides like 9-bromophenanthrene and 2-fluoro-1,4-dimethoxybenzene were used to investigate the feasibility of alkynylation under ball milling conditions. The purpose of these chemicals is to demonstrate a practical and cost-effective alternative method for introducing ethynyl functionalities into organic molecules, which is synthetically valuable and has potential applications in organic synthesis.

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