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2-(3-Chlorophenyl)ethyl cyclobutyl ketone, with the chemical formula C13H15ClO, is a cyclic ketone featuring a benzene ring with a chlorine atom attached and a cyclobutyl ring. 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE is recognized for its potential as an intermediate or building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Additionally, it has been investigated for its biological and pharmacological properties, particularly as an acetylcholinesterase inhibitor, which plays a role in the regulation of the neurotransmitter acetylcholine. Its applications extend to medicinal chemistry and drug discovery.

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  • 898787-54-7 Structure
  • Basic information

    1. Product Name: 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE
    2. Synonyms: 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE
    3. CAS NO:898787-54-7
    4. Molecular Formula: C13H15ClO
    5. Molecular Weight: 222.71
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 898787-54-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 322°C at 760 mmHg
    3. Flash Point: 180.8°C
    4. Appearance: /
    5. Density: 1.163g/cm3
    6. Vapor Pressure: 0.000287mmHg at 25°C
    7. Refractive Index: 1.557
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE(898787-54-7)
    12. EPA Substance Registry System: 2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE(898787-54-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 898787-54-7(Hazardous Substances Data)

898787-54-7 Usage

Uses

Used in Pharmaceutical Synthesis:
2-(3-Chlorophenyl)ethyl cyclobutyl ketone is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Production:
In the agrochemical industry, 2-(3-Chlorophenyl)ethyl cyclobutyl ketone serves as a building block for the creation of compounds that can be used in pest control and crop protection, enhancing agricultural productivity.
Used in Specialty Chemicals:
2-(3-CHLOROPHENYL)ETHYL CYCLOBUTYL KETONE is utilized in the production of specialty chemicals where its unique structure and properties are leveraged to create high-value products for specific applications.
Used in Medicinal Chemistry and Drug Discovery:
2-(3-Chlorophenyl)ethyl cyclobutyl ketone is employed as a research tool in medicinal chemistry, aiding in the discovery and development of new drugs by providing insights into molecular interactions and potential therapeutic targets.
Used as an Acetylcholinesterase Inhibitor:
In pharmacological research, 2-(3-Chlorophenyl)ethyl cyclobutyl ketone is studied for its potential as an acetylcholinesterase inhibitor, which could have implications for the treatment of conditions related to neurotransmitter imbalances, such as Alzheimer's disease.

Check Digit Verification of cas no

The CAS Registry Mumber 898787-54-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,9,8,7,8 and 7 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 898787-54:
(8*8)+(7*9)+(6*8)+(5*7)+(4*8)+(3*7)+(2*5)+(1*4)=277
277 % 10 = 7
So 898787-54-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H15ClO/c14-12-6-1-3-10(9-12)7-8-13(15)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8H2

898787-54-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-chlorophenyl)-1-cyclobutylpropan-1-one

1.2 Other means of identification

Product number -
Other names -

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:898787-54-7 SDS

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