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1-BROMO-4-FLUOROBUTANE is an organic compound that features a butane chain with a bromine atom at the first carbon and a fluorine atom at the fourth carbon. This unique structure makes it a versatile building block in organic synthesis and a potential candidate for various applications in different industries.

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  • 462-72-6 Structure
  • Basic information

    1. Product Name: 1-BROMO-4-FLUOROBUTANE
    2. 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
    3. CAS NO:462-72-6
    4. Molecular Formula: C4H8BrF
    5. Molecular Weight: 155.01
    6. EINECS: N/A
    7. Product Categories: Alkyl;Halogenated Hydrocarbons;Organic Building Blocks
    8. Mol File: 462-72-6.mol
  • Chemical Properties

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

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

462-72-6 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.

Check Digit Verification of cas no

The CAS Registry Mumber 462-72-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,6 and 2 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 462-72:
(5*4)+(4*6)+(3*2)+(2*7)+(1*2)=66
66 % 10 = 6
So 462-72-6 is a valid CAS Registry Number.
InChI:InChI=1/C4H8BrF/c5-3-1-2-4-6/h1-4H2

462-72-6 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • TCI America

  • (B5331)  1-Bromo-4-fluorobutane  >98.0%(GC)

  • 462-72-6

  • 5g

  • 990.00CNY

  • Detail
  • TCI America

  • (B5331)  1-Bromo-4-fluorobutane  >98.0%(GC)

  • 462-72-6

  • 25g

  • 3,990.00CNY

  • Detail
  • Alfa Aesar

  • (H64317)  1-Bromo-4-fluorobutane, 97%   

  • 462-72-6

  • 1g

  • 302.0CNY

  • Detail
  • Alfa Aesar

  • (H64317)  1-Bromo-4-fluorobutane, 97%   

  • 462-72-6

  • 5g

  • 1209.0CNY

  • Detail
  • Alfa Aesar

  • (H64317)  1-Bromo-4-fluorobutane, 97%   

  • 462-72-6

  • 25g

  • 5037.0CNY

  • Detail
  • Aldrich

  • (434027)  1-Bromo-4-fluorobutane  98%

  • 462-72-6

  • 434027-5G

  • 1,689.48CNY

  • Detail

462-72-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-BROMO-4-FLUOROBUTANE

1.2 Other means of identification

Product number -
Other names 1-fluoro-4-bromobutane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:462-72-6 SDS

462-72-6Relevant articles and documents

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

Kartashov, A. V.,Chuvatkin, N. N.,Kurskii, Yu. A.,Boguslavskaya, L. S.

, p. 2279 - 2284 (2007/10/02)

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

Chuvatkin, N. N.,Kartashov, A. V.,Morozova, T. V.,Boguslavskaya, L. S.

, p. 237 - 242 (2007/10/02)

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

Morozova, T. V.,Chuvatkin, N. N.,Panteleeva, I. Yu.,Boguslavskaya, L. S.

, p. 1255 - 1263 (2007/10/02)

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.

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