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3,3-difluorocyclobutanone is a cyclobutanone derivative with the molecular formula C4H4F2O, featuring two fluorine atoms attached to the carbon atoms at the 3-position of the cyclobutanone ring. This chemical compound is known for its high reactivity and is primarily utilized as a synthetic intermediate in the production of pharmaceuticals and agrochemicals. Its ability to introduce fluorine atoms into organic molecules can enhance their biological activity or improve their chemical properties.

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  • 1273564-99-0 Structure
  • Basic information

    1. Product Name: 3,3-difluorocyclobutanone
    2. Synonyms: 3,3-difluorocyclobutanone;3,3-difluorocyclobutan-1-one;Cyclobutanone, 3,3-difluoro-;3,3-Difluorocyclobutanone - D11667
    3. CAS NO:1273564-99-0
    4. Molecular Formula: C4H4F2O
    5. Molecular Weight: 106.07
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1273564-99-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 105.5±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.26±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3,3-difluorocyclobutanone(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3,3-difluorocyclobutanone(1273564-99-0)
    11. EPA Substance Registry System: 3,3-difluorocyclobutanone(1273564-99-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN1993
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 1273564-99-0(Hazardous Substances Data)

1273564-99-0 Usage

Uses

Used in Pharmaceutical Industry:
3,3-difluorocyclobutanone is used as a synthetic intermediate for the production of various pharmaceuticals. Its incorporation into drug molecules can improve their efficacy and pharmacokinetic properties, such as solubility, lipophilicity, and metabolic stability.
Used in Agrochemical Industry:
In the agrochemical industry, 3,3-difluorocyclobutanone serves as a key intermediate in the synthesis of agrochemicals, including pesticides and herbicides. The introduction of fluorine atoms can enhance the biological activity and selectivity of these compounds, leading to more effective and environmentally friendly products.
Used in Organic Synthesis:
3,3-difluorocyclobutanone is employed as a reagent in organic synthesis to introduce fluorine atoms into organic molecules. The presence of fluorine can significantly alter the physical, chemical, and biological properties of the resulting compounds, making them more suitable for various applications, such as drug development or material science.
Due to its high reactivity, 3,3-difluorocyclobutanone requires careful handling and specialized equipment for its synthesis and use in chemical reactions. This ensures the safety of the process and the quality of the final products.

Check Digit Verification of cas no

The CAS Registry Mumber 1273564-99-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,7,3,5,6 and 4 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1273564-99:
(9*1)+(8*2)+(7*7)+(6*3)+(5*5)+(4*6)+(3*4)+(2*9)+(1*9)=180
180 % 10 = 0
So 1273564-99-0 is a valid CAS Registry Number.

1273564-99-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-difluorocyclobutan-1-one

1.2 Other means of identification

Product number -
Other names 3,3-DIFLUOROCYCLOBUTANONE

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:1273564-99-0 SDS

1273564-99-0Upstream product

1273564-99-0Downstream Products

1273564-99-0Relevant articles and documents

Multigram Synthesis of C 4/C5 3,3-Difluorocyclobutyl-Substituted Building Blocks

Melnykov, Kostiantyn P.,Granat, Dmitriy S.,Volochnyuk, Dmitriy M.,Ryabukhin, Sergey V.,Grygorenko, Oleksandr O.

, p. 4949 - 4957 (2018)

An approach for the multigram synthesis of 3,3-difluorocyclobutyl-substituted building blocks (including carboxylic acid, amines, alcohols, azide, trifluoroborate ketone) is described. It is shown that, in most cases, ethyl 3,3-difluorocyclobutanecarboxylate is a convenient common synthetic intermediate to obtain the target derivatives. For preparation of 3,3-difluorocyclobutanol or -cyclobutanone, an alternative pathway via reaction of dichloroketene and tert -butyl or benzyl vinyl ether should be applied.

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