93378-58-6 - Names and Identifiers
Name | 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
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Synonyms | Albb-003269 AKOS BBS-00003292 CHEMBRDG-BB 3003366 4-Allyl-5-p-tolyl-4H-[1,2,4]triazole-3-thiol 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol 4-allyl-5-(4-methylphenyl)-2H-1,2,4-triazole-3-thione 5-(4-methylphenyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione
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CAS | 93378-58-6
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93378-58-6 - Physico-chemical Properties
Molecular Formula | C12H13N3S
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Molar Mass | 231.32 |
Storage Condition | Room Temprature |
Sensitive | Irritant |
MDL | MFCD01116818 |
93378-58-6 - Risk and Safety
Hazard Symbols | Xi - Irritant
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Hazard Class | IRRITANT |
93378-58-6 - Introduction
4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is an organic compound containing a 1,2,4-triazole ring and a thio group in its chemical structure. The following is a detailed description of some of the properties, uses, preparation and safety information of this compound:
Nature:
-Appearance: White or light yellow solid
-Molecular formula: C12H12N4S
-Molecular weight: 248.32g/mol
-Melting point: 130-133°C
-Boiling point: 427.7°C
-Solubility: Soluble in common organic solvents
Use:
4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol has many applications:
-pesticide intermediates: can be used for the synthesis of fungicides, weeds and pesticides and other pesticides.
-Pharmaceutical intermediates: It can be used to synthesize biologically active compounds, such as antibacterial agents and anti-tumor drugs.
-Coordination compound: It can form a complex with transition metal ions and has certain coordination activity.
Preparation Method:
The preparation method of 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is more complicated, and the commonly used method includes the following steps:
1. react 4-allyl-4-methylbenzimidazole-2-one with thiocyanic acid to form 4-allyl-4-methylbenzimidazole-2-one thiocyanate.
2. hydrolyze thiocyanate to generate 4-allyl-4-methylbenzimidazole-2-one sulfate.
3. Under alkaline conditions, it reacts with p-toluene sulfone to generate 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol.
Safety Information:
According to the current literature and data, there is limited understanding of the toxicological properties of 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol. However, as an organic compound, in general, appropriate protective measures need to be taken when using it to avoid direct contact with skin, eyes and respiratory tract. Use in the laboratory should follow normal operating procedures for chemicals and follow relevant safety regulations. If exposed to the compound, immediately flush the affected area with water and seek medical advice.
Last Update:2024-04-09 20:45:29