1-Bromo-3-fluorobenzene

Base Information

• Chemical Name: 1-Bromo-3-fluorobenzene
• CAS No.: 1073-06-9
• Molecular Formula: C6H4BrF
• Molecular Weight: 175
• Hs Code.: 29036990
• European Community (EC) Number: 214-023-0
• NSC Number: 10267
• UNII: FP4T6BX2WD
• DSSTox Substance ID: DTXSID9061461
• Nikkaji Number: J54.890A
• Wikidata: Q72455766
• Mol file: 1073-06-9.mol

Synonyms:1-bromo-3-fluorobenzene

Chemical Property of 1-Bromo-3-fluorobenzene

Chemical Property:

• Appearance/Colour: clear colourless tolight yellow liquid
• Vapor Pressure: 5.65mmHg at 25°C
• Melting Point: -8 °C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 150 °C at 760 mmHg
• Flash Point: 38.9 °C
• PSA: 0.00000
• Density: 1.593 g/cm³
• LogP: 2.58820
• Storage Temp.: Flammables area
• Solubility.: 0.4g/l
• Water Solubility.: insoluble
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.94804
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-3-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,F,Xi
• Statements: 10-22-36/38-36/37/38-20/21/22
• Safety Statements: 26-36-37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)F
• Description: 1-Bromo-3-fluorobenzene (C?H?FBr) consists of a benzene ring substituted with bromine and fluorine atoms. The molecule has a benzene ring with bromine and fluorine atoms attached at the 1 and 3 positions, respectively. It belongs to the category of organic halogen compounds and aromatic compounds.
• Uses and Mechanism of Action: Chemical Intermediate:; 1-Bromo-3-fluorobenzene serves as a chemical intermediate in the synthesis of dyes, agrochemicals, pharmaceuticals, and other organic compounds.; ; Solvent:; 1-Bromo-3-fluorobenzene can be used as a solvent in various chemical processes.; ; Fumigant and Insecticide:; 1-Bromo-3-fluorobenzene is employed as a fumigant and insecticide in agricultural applications.

Technology Process of 1-Bromo-3-fluorobenzene

There total 20 articles about 1-Bromo-3-fluorobenzene 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: 91.0%

(3-fluorophenyl)(mesityl)iodonium trifluoromethanesulfonate (1430342-19-0) → 3-fluorobromobenzene (1073-06-9)

Guidance literature:

With copper(I) bromide; In acetonitrile; at 80 ℃; for 2h;

DOI:10.2174/15701786113109990011

Reference yield: 85.0%

→ 3-fluorobromobenzene (1073-06-9)

Guidance literature:

Reference yield: 82.7%

2-fluoro-4-bromoaniline sulfate → 3-fluorobromobenzene (1073-06-9)

Guidance literature:

With copper(I) oxide; sulfuric acid; sodium nitrite; In water; isopropyl alcohol; at -10 - 0 ℃; for 5h; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

bromobenzene

3-chlorofluorobenzene

carbon disulfide

fluorobenzene

Downstream raw materials:

(3-fluoro-phenyl)-(4-fluoro-phenyl)-amine

(3-fluoro-phenyl)-naphthalen-1-yl-amine

(3-fluoro-phenyl)-[2]naphthyl-amine

bis(3-fluorophenyl)amine