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METHYL BROMODIFLUOROACETATE, with the chemical formula C3H2BrF2O2, is a colorless, odorless liquid. It is a highly reactive chemical compound that serves as a crucial intermediate in various industrial applications, including the production of pharmaceuticals, agrochemicals, and other fine chemicals. Due to its reactivity, it requires careful handling to prevent skin and eye irritation, as well as potential harm from ingestion, inhalation, or skin absorption. Additionally, it poses an environmental hazard and necessitates proper disposal.

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  • 683-98-7 Structure
  • Basic information

    1. Product Name: METHYL BROMODIFLUOROACETATE
    2. Synonyms: METHYL BROMODIFLUOROACETATE;Bromo(difluoro)acetic acid methyl ester;Methyl 2-broMo-2,2-difluoroacetate;Bromo(difluoro)acetic acid methyl ester, Methyl 2-bromo-2,2-difluoroethanoate
    3. CAS NO:683-98-7
    4. Molecular Formula: C3H3BrF2O2
    5. Molecular Weight: 188.96
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 683-98-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 97-98°C
    3. Flash Point: 6.6°C
    4. Appearance: /
    5. Density: 1.7125 g/cm3 (23℃)
    6. Vapor Pressure: 64.1mmHg at 25°C
    7. Refractive Index: 1.3880 (589.3 nm 23℃)
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL BROMODIFLUOROACETATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL BROMODIFLUOROACETATE(683-98-7)
    12. EPA Substance Registry System: METHYL BROMODIFLUOROACETATE(683-98-7)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: 2924
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: II
    9. Hazardous Substances Data: 683-98-7(Hazardous Substances Data)

683-98-7 Usage

Uses

Used in Pharmaceutical Industry:
METHYL BROMODIFLUOROACETATE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of complex organic molecules that are otherwise challenging to produce.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL BROMODIFLUOROACETATE is utilized as a reagent in the development of compounds that aid in crop protection and enhancement of agricultural yields.
Used in Fine Chemicals Production:
METHYL BROMODIFLUOROACETATE is employed as an essential component in the production of fine chemicals, where its unique properties contribute to the formation of high-value specialty products.
Used in Fluoroorganic Compounds Manufacturing:
METHYL BROMODIFLUOROACETATE is also used as a precursor in the manufacture of fluoroorganic compounds, which have a wide range of applications across different industries due to their unique properties, such as enhanced stability and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 683-98-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,8 and 3 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 683-98:
(5*6)+(4*8)+(3*3)+(2*9)+(1*8)=97
97 % 10 = 7
So 683-98-7 is a valid CAS Registry Number.
InChI:InChI=1/C3H3BrF2O2/c1-8-2(7)3(4,5)6/h1H3

683-98-7 Well-known Company Product Price

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  • TCI America

  • (M2020)  Methyl Bromodifluoroacetate  >97.0%(GC)

  • 683-98-7

  • 5g

  • 955.00CNY

  • Detail
  • TCI America

  • (M2020)  Methyl Bromodifluoroacetate  >97.0%(GC)

  • 683-98-7

  • 25g

  • 2,860.00CNY

  • Detail

683-98-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-bromo-2,2-difluoroacetate

1.2 Other means of identification

Product number -
Other names Brom-difluor-essigsaeure-methylester

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:683-98-7 SDS

683-98-7Relevant articles and documents

Photo-triggered self-catalyzed fluoroalkylation/cyclization of unactivated alkenes: Synthesis of quinazolinones containing the CF2R group

Yang, Jin,Sun, Bin,Ding, Hao,Huang, Pan-Yi,Tang, Xiao-Li,Shi, Rong-Cheng,Yan, Zhi-Yang,Yu, Chuan-Ming,Jin, Can

supporting information, p. 575 - 581 (2021/01/28)

A novel photo-triggered self-catalyzed fluoroalkylation/cyclization of quinazolinones containing unactivated alkenes with various fluoroalkyl bromides has been developed. This transformation exhibits excellent substrate generality with respect to both the coupling partners. Of note is that this is the first example describing the Csp3-Br bond homolysis of alkyl bromides via a substrate (quinazolinones) induced energy transfer process. Additionally, the mild conditions, tolerance to a wide range of functional groups and operational simplicity make this protocol practical for the synthesis of fluorine-containing ring-fused quinazolinones. This journal is

Ozone oxidation process of preparing a halogenated acetic acid and esters thereof (by machine translation)

-

Paragraph 0078-0080, (2017/06/29)

The invention belongs to the field of chemical synthesis, in particular to a halogenated acetic acid or a halogenated acetic acid ester compound preparation method; halogenated ethane (type I) by ozone oxidation after the reaction, the reaction with water or alcohol to obtain a halogenated acetic acid or halogenated acetate (type II). (by machine translation)

Electrophilic addition reactions of 1,1-difluoro-2,2-diphenylthioethylene

Purrington, Suzanne T.,Sheu, Kuen-Wanq

, p. 165 - 168 (2007/10/02)

Electrophiles have been shown to add to F2C=C(SPh)2 at the difluoromethylene carbon, indicating that sulfur is better able to stabilize a positive charge than fluorine.

(METHYL DIFLUOROACETATE)COPPER REAGENT. REMARKABLE SOLVENT EFFECT ON THE 19F-NMR SPECTRUM, STABILITY AND REACTIVITY

Kitagawa, Osamu,Taguchi, Takeo,Kobayashi, Yoshiro

, p. 389 - 392 (2007/10/02)

The 19F-NMR spectrum, thermal stability and reactivity of (methyl difluoroacetate)copper reagent were found to differ remarkably depending on the solvent (DMSO, DMF, or HMPA) used.With allylic bromide or alkynyl halide a crucial solvent effect for the coupling reactions was observed.

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