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1-(but-3-ynyl)-1H-1,2,4-triazole is a chemical compound characterized by the molecular formula C6H7N3. It features a 1,2,4-triazole ring with a but-3-ynyl substituent, which contributes to its high reactivity and potential toxicity. 1-(but-3-ynyl)-1H-1,2,4-triazole is widely recognized for its applications in the pharmaceutical industry and organic synthesis.

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  • 933045-04-6 Structure
  • Basic information

    1. Product Name: 1-(but-3-ynyl)-1H-1,2,4-triazole
    2. Synonyms: 1-(but-3-ynyl)-1H-1,2,4-triazole;1-(but-3-yn-1-yl)-1H-1,2,4-triazole
    3. CAS NO:933045-04-6
    4. Molecular Formula: C6H7N3
    5. Molecular Weight: 121.13988
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 933045-04-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 242.9±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.01±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 2.74±0.10(Predicted)
    10. CAS DataBase Reference: 1-(but-3-ynyl)-1H-1,2,4-triazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(but-3-ynyl)-1H-1,2,4-triazole(933045-04-6)
    12. EPA Substance Registry System: 1-(but-3-ynyl)-1H-1,2,4-triazole(933045-04-6)
  • 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: 933045-04-6(Hazardous Substances Data)

933045-04-6 Usage

Uses

Used in Pharmaceutical Industry:
1-(but-3-ynyl)-1H-1,2,4-triazole is utilized as a building block for the synthesis of various biologically active compounds. Its unique chemical structure allows it to be a key intermediate in the development of new medications, making it a valuable asset in drug discovery and pharmaceutical research.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(but-3-ynyl)-1H-1,2,4-triazole serves as a versatile precursor for the preparation of novel compounds. Its reactivity enables chemists to create a range of molecules with potential applications in various industries.
Used as a Precursor in Agrochemicals:
1-(but-3-ynyl)-1H-1,2,4-triazole is also employed as a precursor in the development of new agrochemicals. Its role in creating bioactive molecules contributes to the advancement of products for agricultural use, such as pesticides and fertilizers.
Safety Precautions:
Given the reactivity and potential toxicity of 1-(but-3-ynyl)-1H-1,2,4-triazole, it is crucial to follow proper handling and storage protocols. This ensures the safety of individuals working with the compound and minimizes the risk of adverse effects on human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 933045-04-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,3,3,0,4 and 5 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 933045-04:
(8*9)+(7*3)+(6*3)+(5*0)+(4*4)+(3*5)+(2*0)+(1*4)=146
146 % 10 = 6
So 933045-04-6 is a valid CAS Registry Number.

933045-04-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-but-3-yn-1-yl-1H-1,2,4-triazole

1.2 Other means of identification

Product number -
Other names 1-but-3-ynyl-1H-[1,2,4] triazole

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:933045-04-6 SDS

933045-04-6Relevant articles and documents

DIAZINE AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS

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Page/Page column 20, (2008/06/13)

Objects of the present invention are the compounds of formula (I), their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them a

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