1-Bromo-4-fluoronaphthalene

Base Information

• Chemical Name: 1-Bromo-4-fluoronaphthalene
• CAS No.: 341-41-3
• Molecular Formula: C10H6BrF
• Molecular Weight: 225.06
• Hs Code.: 29039990
• European Community (EC) Number: 206-434-9
• DSSTox Substance ID: DTXSID30187691
• Nikkaji Number: J193.788J
• Wikidata: Q72456241
• Mol file: 341-41-3.mol

Synonyms:1-bromo 4-fluoronaphthalene

Chemical Property of 1-Bromo-4-fluoronaphthalene

Chemical Property:

• Vapor Pressure: 0.00609mmHg at 25°C
• Melting Point: 35-38 °C(lit.)
• Refractive Index: 1.638
• Boiling Point: 281.4°Cat760mmHg
• Flash Point: 110 ºC
• PSA: 0.00000
• Density: 1.563g/cm³
• LogP: 3.74140
• Storage Temp.: 0-10°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 223.96369
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-4-fluoronaphthalene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)F
• Uses: 1-Bromo-4-fluoronaphthalene is the starting material for the synthesis of Fluorobenzo[c]fluoren (F588435) which is a polycyclic aromatic hydrocarbon used in materials science extensively due to utility in organic electronics, light emitting diodes and solar cells.

Technology Process of 1-Bromo-4-fluoronaphthalene

There total 3 articles about 1-Bromo-4-fluoronaphthalene 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: 91.5%

1-Fluoronaphthalene (321-38-0) → 1-bromo-4-fluoronaphthalene (341-41-3)

Guidance literature:

With tetrachloromethane; bromine; for 2h; Reflux;

Reference yield:

→ 1-bromo-4-fluoronaphthalene (341-41-3)

Guidance literature:

Reference yield:

tetrachloromethane (56-23-5) + 1-Fluoronaphthalene (321-38-0) + bromine (7726-95-6) → 1-bromo-4-fluoronaphthalene (341-41-3)

Guidance literature:

at 50 - 60 ℃; zuletzt bei Siedetemperatur;

upstream raw materials:

1-Fluoronaphthalene

tetrachloromethane

bromine

Downstream raw materials:

(4-fluoronaphthalen-1-yl)boronic acid

4-fluoro-1-naphthalenecarbaldehyde

(4-fluoronaphthalen-1-yl)methanol

4-fluoronaphthalene-1-carbonitrile

Refernces

• 1、 Lowe III, John A.,Qian, Weimin,Drozda, Susan E.,Volkmann, Robert A.,Nason, Deane,Nelson, Robert B.,Nolan, Charles,Liston, Dane,Ward, Karen,Faraci, Steve,Verdries, Kim,Seymour, Pat,Majchrzak, Michael,Villalobos, Anabella,White, W. Frost. "Structure-Activity Relationships of Potent, Selective Inhibitors of Neuronal Nitric Oxide Synthase Based on the 6-Phenyl-2-aminopyridine Structure". . p. 1575 - 1586. Retrieved 2007/10/03.
• 2、 -. "2-aminopyridines containing fused ring substituents". . . Retrieved 2008/06/13.