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CAS

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401-55-8

Ethyl bromofluoroacetate is a clear yellow liquid that serves as an essential intermediate in the chemical synthesis process. It is known for its role in creating polyfluoroalkyl-substituted fluoro enol ethers and N-protected α-fluoroglycines, which are significant compounds in various chemical and pharmaceutical applications.

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  • 401-55-8 Structure

  • Basic information

    1. Product Name: Ethyl bromofluoroacetate
    2. Synonyms: BROMOFLUOROACETIC ACID ETHYL ESTER;ETHYL BROMOFLUOROACETATE;ETHYL-2-BROMOFLUOROACETATE;2-BROMO-2-FLUOROETHYLACETATE;(R,S)-Bromo-fluoro-aceticacidethylester;Ethyl broMofluoroacetate, 97% 5GR;BroMofluoroethyl acetate;EethylbroMofluoroacetate
    3. CAS NO:401-55-8
    4. Molecular Formula: C4H6BrFO2
    5. Molecular Weight: 184.99
    6. EINECS: 206-928-4
    7. Product Categories: Alkyl Fluorinated Building Blocks;Building Blocks;C2 to C5;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Pharmaceutical Intermediates;Fluoro-Aliphatics ;Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry;C2 to C5;Carbonyl Compounds;Esters
    8. Mol File: 401-55-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 154 °C(lit.)
    3. Flash Point: 159 °F
    4. Appearance: Clear yellow/Liquid
    5. Density: 1.565 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 3.25mmHg at 25°C
    7. Refractive Index: n20/D 1.424(lit.)
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. Water Solubility: It is soluble in water.
    11. CAS DataBase Reference: Ethyl bromofluoroacetate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Ethyl bromofluoroacetate(401-55-8)
    13. EPA Substance Registry System: Ethyl bromofluoroacetate(401-55-8)

  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36-36/37/39
    4. RIDADR: UN2810
    5. WGK Germany: 3
    6. RTECS:
    7. TSCA: T
    8. HazardClass: 6.1
    9. PackingGroup: III
    10. Hazardous Substances Data: 401-55-8(Hazardous Substances Data)

401-55-8 Usage

Uses

Used in Chemical Synthesis:
Ethyl bromofluoroacetate is used as an intermediate for the synthesis of polyfluoroalkyl-substituted fluoro enol ethers. These enol ethers are valuable in the creation of various chemical compounds due to their unique properties and reactivity.
Ethyl bromofluoroacetate is also used as an intermediate in the synthesis of N-protected α-fluoroglycines. These α-fluoroglycines are important building blocks in the development of pharmaceuticals, particularly in the design of new drugs with potential therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 401-55-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 1 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 401-55:
(5*4)+(4*0)+(3*1)+(2*5)+(1*5)=38
38 % 10 = 8
So 401-55-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3/t3-/m0/s1

401-55-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail

  • TCI America

  • (B1673)  Ethyl Bromofluoroacetate  >98.0%(GC)

  • 401-55-8

  • 5g

  • 435.00CNY

  • Detail

  • TCI America

  • (B1673)  Ethyl Bromofluoroacetate  >98.0%(GC)

  • 401-55-8

  • 25g

  • 1,450.00CNY

  • Detail

  • Alfa Aesar

  • (B21579)  Ethyl bromofluoroacetate, 97%   

  • 401-55-8

  • 1g

  • 211.0CNY

  • Detail

  • Alfa Aesar

  • (B21579)  Ethyl bromofluoroacetate, 97%   

  • 401-55-8

  • 5g

  • 476.0CNY

  • Detail

  • Alfa Aesar

  • (B21579)  Ethyl bromofluoroacetate, 97%   

  • 401-55-8

  • 25g

  • 1901.0CNY

  • Detail

401-55-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl bromofluoroacetate

1.2 Other means of identification

Product number -
Other names Acetic acid, bromofluoro-, ethyl ester

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:401-55-8 SDS

401-55-8Relevant articles and documents

Tetrafluorine-containing ketones and acetoacetates: Synthesis and mechanistic study

Tsai, Hou-Jen,Hsieh, Chi-Wei

, p. 749 - 757 (2008/03/11)

Addition of trimethylsilyl trifluoroacetate to the carbanions of α-fluorobenzyl-phosphonate (3) or diisopropyl(fluorocarbethoxymethyl) phosphonate (9) formed the corresponding intermediates [CF3C(O)CFPh] -Li+ (10) and [CF3C(O)CFCO2Et] -Li+ (11), respectively. Subsequent protonation, alkylation or allylation of 10 and 11 afforded trifluoromethyl fluorobenzyl ketones 12 and ethyl 2,4,4,4-tetra-fluoroacetoacetates 13. Based on the results obtained, a plausible mechanism was proposed.

Synthesis of phenyl and ester substituted vinyl fluorides via reduction and olefination of esters

Tsai, Hou-Jen,Burton, Donald J.

, p. 135 - 145 (2007/10/03)

A reduction-olefination sequence has been used to convert ethyl pentafluoropropanoate 6 to 1-fluoro-1-phenyl-2-pentafluoroethyl ethene 7 and ethyl 2,4,4,5,5,5-hexafluoro-2-pentenoate 8. Addition of lithium diethyl α-fluorobenzylphosphonate [(EtO)2P(O)CFPh]- Li+ 4 or lithium fluorocarboethoxymethylene dialkylphosphonate [(RO)2P(O)CFCO2Et]- Li+ 5 (R = Et, i-Pr) to a THF solution of fluorinated aldehydes prepared in situ from 6 and diisobutylaluminum hydride (DIBAL) affords the vinyl fluorides C2F5CH=CFPh 7 and C2F5CH=CFCO2Et 8 in good yields. However, yields of the final products 7 and 8 are low when in situ reduction of 6 to aldehyde was performed in the presence of lithium salts of 4 or 5.

Application of fluorocarbethoxy-substituted phosphonate: A facile entry to substituted 2-fluoro-3-oxoesters

Tsai, Hou-Jen

, p. 1 - 10 (2007/10/03)

Diethyl(fluorocarbethoxymethyl)phosphonate 1a or diisopropyl(fluorocarbethoxymethyl)phosphonate 1b, prepared from triethyl phosphite or triisopropyl phosphite with ethyl bromofluoroacetate, react with n-butyllithium in THF to give the corresponding phosphonate carbanions [(RO)2P(O)CFCO2Et]-Li+ 2a (R = Et) and 2b (R = i-Pr). Addition of trimethylsilyltrifluoroacetate CF3C(O)OSiMe3 to a THF solution of phosphonate carbanions formed the enolate of ethyl trifluoroacetylfluoroacetate [CF3C(O)CFCO2Et]-Li+ 3. Subsequent protonation, alkylation or allylation of the enolate afforded substituted 2,4,4,4-tetrafluoro-3-oxoesters CF3C(O)CFR1CO2Et 10.

A Convenient Synthesis of Ethyl (Diethoxyphosphoryl)fluoroacetate from Ethyl Fluoroacetate

Elkik, Elias,Imbeaux, Michele

, p. 861 - 862 (2007/10/02)

A new synthesis of ethyl (diethoxyphosphoryl)fluoroacetate starting from ethyl fluoroacetate is described for a mole scale.This synthesis does not require the use of special equipment for fluorine chemistry since no hydrogen fluoride is evolved.

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