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3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE is a versatile chemical compound belonging to the triazole class. It features a 1,2,4-triazole ring with a (3-methylbenzyl)sulfonyl substituent at the 3-position, offering a range of applications across pharmaceuticals, agrochemicals, and materials science due to its unique chemical structure and properties.

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  • 339105-87-2 Structure
  • Basic information

    1. Product Name: 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE
    2. Synonyms: 1H-1,2,4-Triazole,3-[[(3-methylphenyl)methyl]sulfonyl]- (9CI)
    3. CAS NO:339105-87-2
    4. Molecular Formula: C10H11N3O2S
    5. Molecular Weight: 237.28
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 339105-87-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 478.5°Cat760mmHg
    3. Flash Point: 243.2°C
    4. Appearance: /
    5. Density: 1.371g/cm3
    6. Vapor Pressure: 2.56E-09mmHg at 25°C
    7. Refractive Index: 1.598
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE(339105-87-2)
    12. EPA Substance Registry System: 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE(339105-87-2)
  • 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: 339105-87-2(Hazardous Substances Data)

339105-87-2 Usage

Uses

Used in Pharmaceutical Industry:
3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE is used as an antifungal agent for its potential to combat fungal infections by targeting specific fungal enzymes or pathways, thereby inhibiting fungal growth and reducing the severity of infections.
Used in Agrochemical Industry:
In agrochemicals, 3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE is utilized as a fungicide to protect crops from fungal diseases, ensuring higher crop yields and quality by controlling the spread of fungi that can cause significant damage to plants.
Used in Materials Science:
3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE serves as a building block in the synthesis of complex organic molecules, contributing to the development of new materials with specific properties for various applications in materials science, such as the creation of new polymers or the modification of existing ones to enhance their performance.
Used in Cholesterol Biosynthesis Inhibition:
3-[(3-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE is also used as an enzyme inhibitor in the biosynthesis of cholesterol, playing a role in the development of drugs that can help manage cholesterol levels and potentially reduce the risk of cardiovascular diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 339105-87-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,9,1,0 and 5 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 339105-87:
(8*3)+(7*3)+(6*9)+(5*1)+(4*0)+(3*5)+(2*8)+(1*7)=142
142 % 10 = 2
So 339105-87-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H11N3O2S/c1-8-3-2-4-9(5-8)6-16(14,15)10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)

339105-87-2 Well-known Company Product Price

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  • Alfa Aesar

  • (H50654)  3-[(3-Methylbenzyl)sulfonyl]-1H-1,2,4-triazole   

  • 339105-87-2

  • 250mg

  • 588.0CNY

  • Detail
  • Alfa Aesar

  • (H50654)  3-[(3-Methylbenzyl)sulfonyl]-1H-1,2,4-triazole   

  • 339105-87-2

  • 1g

  • 1775.0CNY

  • Detail

339105-87-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-[(3-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole

1.2 Other means of identification

Product number -
Other names HMS1365G19

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:339105-87-2 SDS

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