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1,2,4-Triazole

CAS No.288-88-0
Chemical Name:1,2,4-Triazole
CBNumber:CB2277901
Molecular Formula:C2H3N3
Formula Weight:69.07
MOL File:288-88-0.mol

1,2,4-Triazole Property

Melting point 119-121 °C (lit.)
Boiling point 260 °C (lit.)
Density 1.15 g/cm3 (130℃)
bulk density 550kg/m3
vapor pressure 0.215Pa at 20℃
refractive index 1.4854 (estimate)
Flash point 140 °C
storage temp. Store below +30°C.
solubility 547g/l
form Crystalline Powder and Flakes
pka 2.27(at 20℃)
color White
PH 8 (10g/l, H2O, 20℃)
Water Solubility 1250 g/L (20 ºC)
Merck 14,9605
BRN 104767
InChIKey NSPMIYGKQJPBQR-UHFFFAOYSA-N
LogP -0.76 at 25℃
CAS DataBase Reference 288-88-0(CAS DataBase Reference)
EWG's Food Scores 3
FDA UNII 10MS0Y1RDI
NIST Chemistry Reference 1H-1,2,4-Triazole(288-88-0)
Pesticides Freedom of Information Act (FOIA) 1H-1,2,4-Triazole,1H-1,2,4-Triazole
EPA Substance Registry System 1,2,4-Triazole (288-88-0)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xn,Xi,C
Risk Statements :22-36-63-34
Safety Statements :36/37-45-36/37/39-27-26
WGK Germany :2
RTECS :XZ3806000
Hazard Note :Irritant
TSCA :Yes
HS Code :29339990
Hazardous Substances Data :288-88-0(Hazardous Substances Data)
Toxicity :LD50 orally in Rabbit: 1650 mg/kg LD50 dermal Rabbit 3129 - 4200 mg/kg

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H319-H361d
Precautionary statements P201-P202-P264-P301+P312-P305+P351+P338-P308+P313

1,2,4-Triazole Price More Price(15)

Brand: Sigma-Aldrich(India)
Product number: T46108
Product name : 1,2,4-Triazole
Purity: 98%
Packaging: 25G
Price: ₹2749.55
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: T46108
Product name : 1,2,4-Triazole
Purity: 98%
Packaging: 100G
Price: ₹7512.55
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: T46108
Product name : 1,2,4-Triazole
Purity: 98%
Packaging: 500G
Price: ₹22072.18
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 8.08388
Product name : 1,2,4-Triazole
Purity: for synthesis
Packaging: 25G
Price: ₹3340
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 8.08388
Product name : 1,2,4-Triazole
Purity: for synthesis
Packaging: 100G
Price: ₹10610
Updated: 2022/06/14
Buy: Buy

1,2,4-Triazole Chemical Properties,Usage,Production

Chemical Properties white crystalline powder and flakes
Uses 1,2,4-triazole and its derivatives are important structural moieties of many pharmaceutical drugs. Triazoles can also act as ligands to form coordination complexes with transition metal ions. Due to their electron-deficient nature, they exhibit excellent electron-transport and hole-blocking properties, making them promising organic materials in material science applications.
Uses 1,2,4-Triazole is used in the production of pesticides, pharmaceuticals (fluconazole), dyes and rubber additives, and also in the photoconductor of replication system. Intermediate of antifungal fluconazole.
Uses 1,2,4-Triazole is present in a large variety of fungicides as C14-demethylase-inhibitors. In addition they are used in synthetic chemical reactions such as the design and preparation of ghrelin receptor ligand antagonists, like JMV 2959.
Definition 1,2,4-triazole is a chemical substance with molecular formula C2H3N3, molecular weight 69.07 and CAS No. 288-88-0. Colorless acicular crystal, soluble in water and ethanol. 1H-1,2,4-triazole is a 1,2,4-triazole. It is a tautomer of a 3H-1,2,4-triazole and a 4H-1,2,4-triazole.
Triazole is an aromatic five membered heterocyclic compound. Its unique structure is conducive to the formation of a variety of non covalent bonds and is easy to promote the binding of proteins, enzymes and receptors, thus showing a wide range of biological pharmacological activities, such as anticancer, antispasmodic, antibacterial, anti HIV. In particular, 1,2,3-triazole has strong thermal stability and acid-base stability, and is not sensitive to redox, hydrolysis and enzymatic degradation. It is often used as a pharmacodynamic group in drug synthesis.
Definition A heterocyclic organic compound with a five-membered ring containing two carbon atoms and three nitrogen atoms. There are two isomers.
Flammability and Explosibility Non flammable
Synthesis Alkyl bromide and sodium azide were used as raw materials to prepare organic azides, and a series of 1,2,4-Triazole small molecules were prepared by click chemistry. The structures of the six products were characterized by 1H NMR, 13C NMR and IR. the products were expected targets. Furthermore, the effect of different substituent structure on the reaction was discussed. Especially the introduction of drug molecule ethisterone, which is expected to provide a certain experimental basis for the application of triazole and its derivatives in biomedicine and other fields.
As shown in the figure, alkyl bromide and sodium azide were used as raw materials, N, N-dimethylformamide was used as solvent, and reacted at room temperature for 20 hours under the protection of nitrogen. After the reaction, the solvent was extracted, dried, filtered and spin evaporated to obtain alkyl azide compound 1.Put a certain proportion of alkyl azide 1 and alkynyl compound 2 into a round bottom flask, copper powder and copper acetate as catalysts, acetonitrile as solvent, and react at room temperature for 4 hours under the protection of nitrogen. After that, extract, dry, filter and spin the solvent, and purify by thin chromatography to obtain triazole compound 3.
Purification Methods Crystallise 1,2,4-triazole from EtOH, H2O, EtOAc (m 120.5-121o), or EtOH/*C6H6. The hydrochloride has m 170o, and the picrate has m 163-164o (from H2O or CHCl3). [Barszcz et al. J Chem Soc, Dalton Trans 2025 1986]. [Beilstein 26 H 13, 26 II 6, 26 III/IV 35.]