1H-1,2,4-triazole-5-carboxylate

1H-1,2,4-triazole-5-carboxylate - Names and Identifiers

Name	1H-1,2,4-Triazole-3-carboxylic acid
Synonyms	1H-[1 s-Triazole-3-carboxylic acid. 4]-Triazole-3-carboxylic acid 1H-1,2,4-triazole-5-carboxylate 1,2,4-TRIAZOLE-3-CARBOXYLIC ACID 1,2,4-TRIAZOLE-5-CARBOXYLIC ACID 4H-1,2,4-Triazole-3-carboxylic acid 1H-1,2,4-triazole-5-carboxylic acid 1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID 1H-1,2,4-Triazole-3-carboxylic acid 1,2,4-triazole-3-carboxylic acid, 1H-1,2,4-triazole-3-carboxylic acid, 1H-[1,2,4]triazole-3-carboxylic acid, 1H-[1,2,4]triazole-3-carboxylic acid, 1H-[1,2,4]Triazol-3-carbonsaeure, 1,2,4-Triazole carboxylic-3 acid, 1,2,4-Triazol-carbonsaeure-(3)
CAS	4928-87-4
InChI	InChI=1/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)/p-1

1H-1,2,4-triazole-5-carboxylate - Physico-chemical Properties

Molecular Formula	C3H3N3O2
Molar Mass	113.07
Density	1.694±0.06 g/cm3(Predicted)
Melting Point	132-136°C
Boling Point	444.6±28.0 °C(Predicted)
Flash Point	222.7°C
Solubility	Aqueous Base (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly, Heated,
Vapor Presure	1.09E-08mmHg at 25°C
Appearance	Powder
Color	White to pale brown
pKa	10.78±0.20(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00078268

1H-1,2,4-triazole-5-carboxylate - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3
HS Code	29339900
Hazard Class	IRRITANT

1H-1,2,4-triazole-5-carboxylate - Introduction

1H-1,2,4-Triazole-3-carboxylic acid is an organic compound with the chemical formula C3H2N4O2. It had the appearance of a white crystalline solid.

Nature:
1H-1,2,4-Triazole-3-carboxylic acid is an organic acid with strong acidity, soluble in water and some organic solvents. It is stable at room temperature, but may decompose under high temperature or strong acid conditions.

Use:
1H-1,2,4-Triazole-3-carboxylic acid has a wide range of applications in the field of chemistry. It can be used as an intermediate in organic synthesis for the synthesis of various compounds containing a 1,2, 4-triazole nucleus. In addition, it can also be applied in the research and production of drugs and pesticides.

Preparation Method:
The preparation method of 1H-1,2,4-Triazole-3-carboxylic acid generally includes a three-step reaction. First, 1H-1,2,4-triazole and a halogenated alkane are reacted by a nucleophilic substitution reaction to obtain 1-halo -1,2, 4-triazole. Then, 1-halo -1,2,4-triazole is reacted with potassium cyanide to give 1-cyano -1,2,4-triazole. Finally, 1-cyano-1, 2,4-triazole was converted to 1H-1,2,4-Triazole-3-carboxylic acid by a hydrolysis reaction.

Safety Information:
The impact of 1H-1,2,4-Triazole-3-carboxylic acid on the human body and the environment has not been widely studied, so appropriate safety measures need to be taken during use. During operation, appropriate personal protective equipment should be worn to avoid direct contact with skin and eyes. At the same time, it should be operated in a well-ventilated place to avoid inhaling its vapors. Local waste disposal regulations should be followed when disposing of waste.

Last Update：2024-04-09 21:11:58