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ChemicalBook >> CAS DataBase List >>1,2,4-Triazole

1,2,4-Triazole

CAS No.
288-88-0
Chemical Name:
1,2,4-Triazole
Synonyms
TRIAZOLE;1H-1,2,4-TRIAZOLE;4H-1,2,4-triazole;1,2,4-1H-TRIAZOLE;1,2,4-Triazol;PYRRODIAZOLE;1H-1,2,4-Triazol;1,2,4-Triazole,99%;TA-4;TAR4
CBNumber:
CB2277901
Molecular Formula:
C2H3N3
Molecular Weight:
69.07
MDL Number:
MFCD00005228
MOL File:
288-88-0.mol
MSDS File:
SDS
Last updated:2024-10-24 21:11:45

1,2,4-Triazole Properties

Melting point 119-121 °C (lit.)
Boiling point 260 °C (lit.)
Density 1.15 g/cm3 (130℃)
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)
EPA Substance Registry System 1,2,4-Triazole (288-88-0)
Pesticides Freedom of Information Act (FOIA) 1H-1,2,4-Triazole,1H-1,2,4-Triazole

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS08
Signal word  Warning
Hazard statements  H302-H319-H361d
Precautionary statements  P201-P202-P264-P301+P312-P305+P351+P338-P308+P313
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
Toxicity LD50 orally in Rabbit: 1650 mg/kg LD50 dermal Rabbit 3129 - 4200 mg/kg
NFPA 704
1
2 0

1,2,4-Triazole price More Price(52)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich T46108 1,2,4-Triazole 98% 288-88-0 25g $36.9 2024-03-01 Buy
Sigma-Aldrich T46108 1,2,4-Triazole 98% 288-88-0 100g $97.8 2024-03-01 Buy
Sigma-Aldrich 8.08388 1,2,4-Triazole for synthesis 288-88-0 25g $52.2 2024-03-01 Buy
Sigma-Aldrich 8.08388 1,2,4-Triazole for synthesis 288-88-0 100g $167 2024-03-01 Buy
Sigma-Aldrich 8.08388 1,2,4-Triazole for synthesis 288-88-0 25kg $1520 2024-03-01 Buy
Product number Packaging Price Buy
T46108 25g $36.9 Buy
T46108 100g $97.8 Buy
8.08388 25g $52.2 Buy
8.08388 100g $167 Buy
8.08388 25kg $1520 Buy

1,2,4-Triazole Chemical Properties,Uses,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.
synthesis route of 1,2,4-Triazole.pngAs 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.]

107-31-3
288-88-0
Synthesis of 1,2,4-Triazole from Methyl formate
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View Lastest Price from 1,2,4-Triazole manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1, 2, 4-Triazole pictures 2024-12-17 1, 2, 4-Triazole
288-88-0
 US $120.00 / kg 1kg 99% 20ton Hebei Zhuanglai Chemical Trading Co.,Ltd
1,2,4-Triazole pictures 2024-12-13 1,2,4-Triazole
288-88-0
 US $0.00 / KG 1KG 98%min 30tons/month WUHAN FORTUNA CHEMICAL CO., LTD
1,2,4-Triazole pictures 2024-10-24 1,2,4-Triazole
288-88-0
 US $1.00 / kg 1kg 99% 10 mt Hebei Weibang Biotechnology Co., Ltd
  • 1,2,4-Triazole pictures
  • 1,2,4-Triazole
    288-88-0
  • US $0.00 / KG
  • 98%min
  • WUHAN FORTUNA CHEMICAL CO., LTD
  • 1,2,4-Triazole pictures
  • 1,2,4-Triazole
    288-88-0
  • US $1.00 / kg
  • 99%
  • Hebei Weibang Biotechnology Co., Ltd
TA-4 TRIAZOLE(1,2,4-) 1-HYDRO-1,2,4-TRIAZOLE CGA-71019 s-Triazole 1,2,4-TRIAZOLE, 1GM, NEAT 1,2,4-TriazoleForSynthesis 1,2,4-1H-Triazole, 99.50% 1,2,4-1H-Triazole, flakes, 99+% AKOS BBS-00004410 pyrrodiazol 1H-1,2,4-TRIAZLOENA-1,2,4-TRIAZLOE K-1,2,4-TRIAZLO sym-triazole 1,2,4-TRIAZOLE pure Voriconazole Impurity 7 1H-1,2,4-Triazole≥ 99% (HPLC) 1,2,4-1H-Triazole s-Triazole Pyrrodiazole 1H-1,2,4-Triazole 1,2,4-1H-TRIAZOLE, 99+%, FLAKES 1,2,4-1H-TRIAZOLE, 99.5% 1,2,4-1H-Triazole, flakes 1.2.4-Triazole 1g [288-88-0] Triazole-[13C2,15N2] 1,2,4-Triazole 4-1H-Triazole 1,2,4-1H-Triazole, 99.5% 25GR 1,2,4-1H-Triazole, 99.5% 5GR 3,4-Diazapyrrole s-Triazole (8CI) 1,2,4- threetriazole 1,2,4-1H-Triazole, 99.5%, 99.5% 1, 4-trichlorobenzene three azole nitrogen Anti-TAAR6 antibody produced in rabbit TAAR6 TAR4 TaR-4 TAR6 TaR-6 1,2,4-Triazole Vetec(TM) reagent grade, 98% 1H-1,2,4-Triazole (1,2,4-1H-Triazole 1,2,4-1H-TriazoL Fluconazole Impurity 16 1,2,4-Triazole > 1,2,4-Triazole, 99%, reagent grade 1,2,4-Triazole @100 μg/mL in MeOH 1,2,4-TRIAZOLE FOR SYNTHESIS 25 G 1, 4-trichlorobenzene triazole 1,2,4-Triazole USP/EP/BP 1,2,4 Triazole LR PYRRODIAZOLE TRIAZOLE 1H-1,2,4-TRIAZOLE 1,2,4-1H-TRIAZOLE 4H-1,2,4-triazole 1,2,4-Triazole,99% 1,2,4-Triazol 1H-1,2,4-Triazol 1,2,4-Triazole 95% 99% 1H-1,2,4-Triazole (Efinaconazole Impurity)