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3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is a chemical compound characterized by the molecular formula C10H6ClNO2. It features an isoxazole ring fused with a chlorophenyl group and a carbonyl group, making it an organic compound with unique structural and reactivity properties. 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE serves as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and is utilized in organic chemical reactions as a reagent. Its potential applications extend to drug discovery and development, as well as contributing to the field of organic chemistry.

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  • 869496-60-6 Structure
  • Basic information

    1. Product Name: 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE
    2. Synonyms: 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE;5-Isoxazolecarboxaldehyde, 3-(3-chlorophenyl)-;3-(3-Chlorophenyl)-5-isoxazolecarboxaldehyde
    3. CAS NO:869496-60-6
    4. Molecular Formula: C10H6ClNO2
    5. Molecular Weight: 207.61
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 869496-60-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 392.4°C at 760 mmHg
    3. Flash Point: 191.1°C
    4. Appearance: /
    5. Density: 1.345g/cm3
    6. Vapor Pressure: 2.29E-06mmHg at 25°C
    7. Refractive Index: 1.601
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE(869496-60-6)
    12. EPA Substance Registry System: 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE(869496-60-6)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 43
    3. Safety Statements: 36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 869496-60-6(Hazardous Substances Data)

869496-60-6 Usage

Uses

Used in Pharmaceutical Synthesis:
3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures, contributing to the development of new drugs with diverse therapeutic profiles.
Used in Agrochemical Production:
In the agrochemical industry, 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is utilized as a precursor in the creation of pesticides and other crop protection agents, leveraging its reactivity to form compounds with potent biological activities against pests and diseases.
Used in Organic Chemical Reactions:
3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is employed as a reagent in organic chemical reactions, facilitating the formation of new compounds with potential applications in various chemical processes and industries.
Used in Drug Discovery and Development:
3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is used as a building block in drug discovery and development, where its unique structure can be exploited to design and synthesize novel molecules with potential therapeutic effects, contributing to the advancement of medicinal chemistry.
Used in Organic Chemistry Research:
3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE is utilized in organic chemistry research to explore new reaction pathways, mechanisms, and the synthesis of complex organic molecules, thereby expanding the understanding and capabilities within the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 869496-60-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,9,4,9 and 6 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 869496-60:
(8*8)+(7*6)+(6*9)+(5*4)+(4*9)+(3*6)+(2*6)+(1*0)=246
246 % 10 = 6
So 869496-60-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H6ClNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H

869496-60-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-chlorophenyl)-1,2-oxazole-5-carbaldehyde

1.2 Other means of identification

Product number -
Other names 5-Isoxazolecarboxaldehyde,3-(3-chlorophenyl)

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:869496-60-6 SDS

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