462-72-6

Basic information

• Product Name: 1-BROMO-4-FLUOROBUTANE
• Synonyms: 1-BROMO-4-FLUOROBUTANE;4-FLUOROBUTYL BROMIDE;1-bromo-4-fluoro-butan;1-Bromo-4-fluorobutane98%;4-Fluoro-1-bromobutane;1-fluoro-4-broMobutane;4-Fluorobutyl bromide, 4-Bromobutyl fluoride;4-Bromo-1-fluorobutane
• CAS NO: 462-72-6
• Molecular Formula: C₄H₈BrF
• Molecular Weight: 155.01
• Product Categories: Alkyl;Halogenated Hydrocarbons;Organic Building Blocks
• Mol File: 462-72-6.mol

Chemical Properties

• Boiling Point: 134-135 °C(lit.)
• Flash Point: 113 °F
• Appearance: Colorless/Liquid
• Density: 1.444 g/mL at 25 °C(lit.)
• Vapor Pressure: 12.8mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Storage Temp.: Flammables area
• Water Solubility: Sparingly soluble in water at 25°C 0.48 g/L.
• CAS DataBase Reference: 1-BROMO-4-FLUOROBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-4-FLUOROBUTANE(462-72-6)
• EPA Substance Registry System: 1-BROMO-4-FLUOROBUTANE(462-72-6)

Safety Data

• Hazard Codes: Xn,Xi,T,F
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• RTECS: EJ6229000
• HazardClass: TOXIC, FLAMMABLE
• PackingGroup: III
• Hazardous Substances Data: 462-72-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-BROMO-4-FLUOROBUTANE is used as a synthetic intermediate for the production of various pharmaceutical compounds. Its presence in the molecule allows for the creation of new drugs with specific properties and functions.
Used in Chemical Synthesis:
1-BROMO-4-FLUOROBUTANE is used as a reagent in the synthesis of complex organic molecules. Its bromine and fluorine atoms can be utilized in various chemical reactions, enabling the formation of a wide range of products.
Used in Fluoroalkyl Derivatives:
1-BROMO-4-FLUOROBUTANE is used as a precursor in the synthesis of fluoroalkyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]alkylamines. These compounds have potential applications in various fields, such as pharmaceuticals and materials science.
Used in Azido Compounds:
1-BROMO-4-FLUOROBUTANE is used as a starting material for the synthesis of 1-azido-4-fluorobutane. 1-BROMO-4-FLUOROBUTANE can be further utilized in the production of various azido-containing molecules, which have applications in chemical research and synthesis.
Used in Cyclohexane Derivatives:
1-BROMO-4-FLUOROBUTANE is used as a building block in the synthesis of 4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane. This cyclohexane derivative may have potential applications in various industries, such as pharmaceuticals, materials science, and chemical research.

InChI:InChI=1/C4H8BrF/c5-3-1-2-4-6/h1-4H2

Upstream product

• 110-52-1 1,4-dibromo-butane 
• 372-93-0 1-fluoro-4-hydroxybutane 

Downstream Products

• 353-13-9 5-fluoro-valeronitrile 
• 353-17-3 4-fluoro-butyl thiocyanate 
• 372-82-7 4-fluoro-1-nitrobutane 
• 648956-83-6 2-[(4-Fluorobutyl)thio]-1,4-dimethoxybenzol 
• 886587-95-7 4-[2-(4-fluorobutoxy)ethyl][bis(4-methoxymethoxyphenyl)methylene]cyclohexane 
• 521074-57-7 2-fluoro-4-(4-fluorobutoxy)benzoic acid 
• 1204406-42-7 N,N-dimethyl-5-(4-fluorobutoxy)-2-(2-amino-4-methylphenoxy)benzylamine 
• 1253043-63-8 C₁₈H₁₆ClFN₂OS 
• 1312549-69-1 3,6-bis(4-fluorobutoxy)benzene-1,2-dicarbonitrile 
• 1428234-84-7 1-(2-(4-fluorobutyl)phenyl)ethanone 
• 7332-00-5 n-butylazide 
• 1133166-26-3 C₂₈H₄₄FN₆O₁₀P 
• 1018445-59-4 4-[(2-chlorophenoxy)methyl]-N-[1-(4-fluorobutyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide 

Relevant articles and documents

REACTIONS OF HALOGEN FLUORIDES. XI. MECHANISM OF REACTIONS OF ALKYL HALIDES WITH BROMINE TRIFLUORIDE

The effects of the substituted halogen, the neighboring groups, and the polarity of the medium on the nature of the fluorination products were studied for the reactions of δ-substituted halogenobutanes and 1,2,3-trihalogenobutanes with bromine tetrachloride.A mechanism involving formation of linear halogenonium ions at the rate-determining stage is proposed.

REACTIONS OF HALOGENS FLUORIDES. VIII. SUBSTITUTIVE FLUORINATION OF BROMINE-CONTAINING ALKANES AND ESTERS WITH BROMINE TRIFLUORIDE

The conditions were found for selective liquid-phase substitutive fluorination of bromine-substituted alkanes and esters with pure bromine trifluoride, in which all three fluorine atoms of the BrF3 molecule are used effectively in the fluorination.The exchange of bromine for fluorine in monobromohalogenoalkanes is nonstereospecific and is in a number of cases accompanied by skeletal rearrangements, hydride shifts, and migration of the halogen.A carbocationic mechanism of fluorination is discussed.

REACTIONS OF CHLORINE MONOFLUORIDE. VI. RELATIVE RATES OF SUBSTITUTIVE FLUORINATION OF BROMINE-SUBSTITUTED ALKANES. HYDRIDE SHIFTS AND OTHER MIGRATIONS DURING FLUORINATION

The relative rates of substitutive fluorination of bromoalkanes with various structures by chlorine monofluoride in a nonpolar medium at 20-40 deg C were investigated by the method of competing reactions.Halogen atoms vicinal with the substituted bromine greatly reduce the fluorination rate.The reactivity of the secondary bromides decreases in the order (CH3)2CHBr>>CH3CHBrCH2Cl>>CH2ClCHBrCH2Cl.The geminal halogen atoms have little effect on the rate of substitutive fluorination.The fluorination rates of the bromoalkanes CH2BrCH2Br, CH2BrCHClBr, and CH2BrCCl2Br are in ratios 10:3:1 respectively, while the fluorination rate of CH3CHClBr is much higher than that of CH2ClCH2Br.As a rule the debromination of primary bromides containing vicinal halogens (Br, Cl) is accompanied by migration of the latter and gives fluorides with iso structures.Hydride shifts take place in cases where stable tertiary or secondary carbocations are formed as a result of migration of the hydride; for example, the fluorination of CH3CHFCH2Br leads to the geminal difluoroalkane CH3CF2CH3.The mechanism of substitutive fluorination is discussed.