1-Bromo-4-fluorobutane

Base Information

• Chemical Name: 1-Bromo-4-fluorobutane
• CAS No.: 462-72-6
• Molecular Formula: C4H8 Br F
• Molecular Weight: 155.01
• Hs Code.: 2903799090
• European Community (EC) Number: 626-488-0
• DSSTox Substance ID: DTXSID70196767
• Nikkaji Number: J64.611C
• Wikidata: Q83069782
• Mol file: 462-72-6.mol

Synonyms:1-Bromo-4-fluorobutane;462-72-6;4-Fluorobutyl bromide;BUTANE, 1-BROMO-4-FLUORO-;BRN 1731414;1-bromo-4-fluoro-butane;4-01-00-00263 (Beilstein Handbook Reference);fluorobutyl bromide;C4-H8-Br-F;SCHEMBL281735;1-Bromo-4-fluorobutane, 98%;DTXSID70196767;MFCD00209551;AKOS006223450;CS-W018025;LS-45624;B5331;FT-0607504;1-bromo-4-fluoro-butan;4-Fluoro-1-bromobutane;A24612;D87758;EN300-206961

Chemical Property of 1-Bromo-4-fluorobutane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 12.8mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 128.6°Cat760mmHg
• Flash Point: 33.3°C
• PSA: 0.00000
• Density: 1.369g/cm³
• LogP: 2.13100
• Storage Temp.: Flammables area
• Water Solubility.: Sparingly soluble in water at 25°C 0.48 g/L.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 153.97934
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCBr)CF
• Uses: 1-Bromo-4-fluorobutane may be used in the synthesis of the following:fluoroalkyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]alkylamines1-azido-4-fluorobutane4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane

Technology Process of 1-Bromo-4-fluorobutane

There total 5 articles about 1-Bromo-4-fluorobutane 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: 6.0%

1,4-dibromo-butane (110-52-1) → 4-bromo-1-fluorobutane (462-72-6) + 1,3-difluorobutane (691-42-9) + 1-bromo-3-fluorobutane (6089-10-7)

Guidance literature:

With bromine trifluoride; In various solvent(s); at 10 - 20 ℃; for 4h;

Reference yield:

1,4-dibromo-butane (110-52-1) → 1,4-difluorobutane (372-90-7) + 4-bromo-1-fluorobutane (462-72-6)

Guidance literature:

With potassium fluoride; diethylene glycol; at 100 ℃; unter vermindertem Druck;

DOI:10.1111/j.1365-2621.2001.tb11339.x

Reference yield:

1,4-dibromo-butane (110-52-1) → 4-bromo-1-fluorobutane (462-72-6)

Guidance literature:

With chlorine monofluoride; at 20 - 40 ℃;

upstream raw materials:

1,4-dibromo-butane

1-fluoro-4-hydroxybutane

Downstream raw materials:

5-fluoro-valeronitrile

4-fluoro-butyl thiocyanate

4-fluoro-1-nitrobutane

4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane