7-Bromo-1-fluoronaphthalene

Base Information

• Chemical Name: 7-Bromo-1-fluoronaphthalene
• CAS No.: 319-04-0
• Molecular Formula: C10H6 Br F
• Molecular Weight: 225.057
• NSC Number: 168912
• DSSTox Substance ID: DTXSID90305056
• Wikidata: Q82051503
• Mol file: 319-04-0.mol

Synonyms:7-bromo-1-fluoronaphthalene;319-04-0;NSC168912;2-Bromo-8-fluoronaphthalene;2-bromo-8-fluoro-naphthalene;SCHEMBL4302977;DTXSID90305056;WEEKQYGCPGZKSV-UHFFFAOYSA-N;NSC-168912;CS-0343307;FT-0743985;A18626;F81639

Chemical Property of 7-Bromo-1-fluoronaphthalene

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Boiling Point: 286.6°Cat760mmHg
• Flash Point: 130.8°C
• PSA: 0.00000
• Density: 1.563g/cm³
• LogP: 3.74140
• XLogP3: 4.1
• 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%min ^*data from raw suppliers

2-Bromo-8-fluoronaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)Br)C(=C1)F

Technology Process of 7-Bromo-1-fluoronaphthalene

There total 12 articles about 7-Bromo-1-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: 59.0%

1-amino-7-bromonaphthalene (136924-78-2) → 7-Bromo-1-fluoronaphthalene (319-04-0)

Guidance literature:

1-amino-7-bromonaphthalene; With boron trifluoride diethyl etherate; In tetrahydrofuran; 1,2-dimethoxyethane; at -5 ℃; for 1.58333h;

With tert.-butylnitrite; In tetrahydrofuran; 1,2-dimethoxyethane; at 20 ℃; for 2h;

In chlorobenzene; for 0.833333h; Heating / reflux;

Reference yield:

7-Brom-naphthalin-diazonium-(1) → 7-Bromo-1-fluoronaphthalene (319-04-0)

Guidance literature:

In paraffin; at 130 - 140 ℃;

DOI:10.1021/ja00978a038

Reference yield:

7-Bromo-1-naphthylamine hydrochloride (137466-04-7) → 7-Bromo-1-fluoronaphthalene (319-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, aq. HCl, 2.) NaBF₄

2: xylene / Heating

With hydrogenchloride; sodium tetrafluoroborate; sodium nitrite; In xylene;

DOI:10.1021/jo00027a063

upstream raw materials:

7-Bromo-1-naphthyldiazonium tetrafluoroborate

bromobenzene

7-bromo-3,4-dihydro-2H-naphthalen-1-one

4-(4-bromophenyl)butanoic acid

Downstream raw materials:

2-(8-Fluor-naphthoyl)-benzoesaeure

Refernces

• 1、 -. "Substituted imidazol-pyridazine derivatives". Page 22. . Retrieved 2010/02/05.