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5-(TRIFLUOROMETHYL)ISOXAZOLE, 97, with the chemical formula C4H2F3NO, is a yellow solid that serves as a crucial building block in the synthesis of a wide range of pharmaceuticals and organic compounds. Characterized by its high stability and purity level of at least 97%, this compound is a valuable asset in research and development processes across various scientific fields.

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  • 116584-43-1 Structure
  • Basic information

    1. Product Name: 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97
    2. Synonyms: 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97;5-(TRIFLUOROMETHYL)ISOXAZOLE 97%;5-TrifloroMethylisoxazole;5-(Trifluoromethyl)-1,2-oxazole
    3. CAS NO:116584-43-1
    4. Molecular Formula: C4H2F3NO
    5. Molecular Weight: 137.06
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116584-43-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 109.2 °C at 760 mmHg
    3. Flash Point: 45 °F
    4. Appearance: /
    5. Density: 1.355 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 29.3mmHg at 25°C
    7. Refractive Index: n20/D 1.348(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97(116584-43-1)
    12. EPA Substance Registry System: 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97(116584-43-1)
  • Safety Data

    1. Hazard Codes: F,Xi
    2. Statements: 11-36/37/38
    3. Safety Statements: 16-26-36
    4. RIDADR: UN 1993 3/PG 1
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 116584-43-1(Hazardous Substances Data)

116584-43-1 Usage

Uses

Used in Pharmaceutical Industry:
5-(TRIFLUOROMETHYL)ISOXAZOLE, 97 is used as a key intermediate in the synthesis of various pharmaceuticals due to its unique chemical properties and high reactivity, contributing to the development of new drugs with improved therapeutic effects.
Used in Agrochemical Development:
In the agrochemical industry, 5-(TRIFLUOROMETHYL)ISOXAZOLE, 97 is utilized in the creation of novel compounds for pest control and crop protection, leveraging its chemical structure to enhance the effectiveness and selectivity of these products.
Used in Materials Science:
5-(TRIFLUOROMETHYL)ISOXAZOLE, 97 is employed in materials science applications, where its stability and reactivity are harnessed to develop new materials with specific properties, such as high-performing polymers and advanced composites for various industrial uses.

Check Digit Verification of cas no

The CAS Registry Mumber 116584-43-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,5,8 and 4 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 116584-43:
(8*1)+(7*1)+(6*6)+(5*5)+(4*8)+(3*4)+(2*4)+(1*3)=131
131 % 10 = 1
So 116584-43-1 is a valid CAS Registry Number.
InChI:InChI=1/C4H2F3NO/c5-4(6,7)3-1-2-8-9-3/h1-2H

116584-43-1SDS

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 5-(trifluoromethyl)-1,2-oxazole

1.2 Other means of identification

Product number -
Other names 5-trifluoromethyl-isoxazole

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:116584-43-1 SDS

116584-43-1Relevant articles and documents

New fluorinated halomethyl isoxazoles

Klausener, Alexander,Baasner, Bernd

, p. 215 - 220 (2007/10/02)

New fluorinated -halomethyl isoxazoles may be prepared from easily accessible 5-trichloromethylisoxazole by chlorine-fluorine exchange reactions.The reaction products may be ring-opened to enolates of 3-oxo-4,4,4-trihalobutyronitriles, which are useful as halogenated C3 synthons.

REACTION OF β-ALKOXYVINYL TRIFLUOROMETHYL KETONES WITH AMINO COMPOUNDS

Gerus, I. I.,Gorbunova, M. G.,Vdovenko, S. I.,Yagupol'skii, Yu. L.,Kukhar', V. P.

, p. 1623 - 1628 (2007/10/02)

The reaction of β-alkoxyvinyl trifluoromethyl ketones with ammonia and primary amines leads to the formation of β-aminovinyl trifluoromethyl ketones RNHCH=CHCOCF3.The data from the IR and NMR spectra of these compounds indicate the presence of a strong in

Flourine-containing 5-trihalogenomethyl-isoxazoles and a process for their preparation

-

, (2008/06/13)

The present invention relates to new 5-trihalogenomethyl-isoxazoles of the formula (I) STR1 in which x represents 1, 2 or 3, and a process for their preparation by reacting the corresponding trichloromethylisoxazole with a fluorinating agent.

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