1,2,4-Triazolylsodium Chemical Properties

Melting point:

295 °C (dec.)(lit.)

Density 

1.255

vapor pressure 

0.215Pa at 20℃

storage temp. 

Inert atmosphere,Room Temperature

solubility 

DMSO (Sparingly), Water

form 

Crystalline Powder

color 

White to brown

PH

11 (100g/l, H2O, 20℃)

BRN 

3570104

InChI

InChI=1S/C2H3N3.Na.H/c1-3-2-5-4-1;;/h1-2H,(H,3,4,5);;

InChIKey

NVMNEWNGLGACBB-UHFFFAOYSA-N

SMILES

C1=NN=CN1.[NaH]

LogP

-0.71--0.7 at 20-25℃

CAS DataBase Reference

41253-21-8(CAS DataBase Reference)

EPA Substance Registry System

1H-1,2,4-Triazole, sodium salt (41253-21-8)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39

WGK Germany 

2

F 

10-21

HS Code 

29339990

MSDS

• Language:English Provider:Sodium-1,2-4-triazolide
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,2,4-Triazolylsodium Usage And Synthesis

Chemical Properties

white to brown crystalline powder

Uses

1,2,4-Triazole Sodium Salt is an azole-based antimycotic agent that can be used to inhibit mold on unseasoned pine.

Flammability and Explosibility

Non flammable

Synthesis

General procedure for the synthesis of sodium 1,2,4-triazole from 1,2,4-triazole: To a three-necked flask equipped with a mechanical stirrer, an internal thermometer, and a reflux condenser, 200 mL of anhydrous methanol and 45 mL of a 30% methanol solution of sodium methanol (containing 0.25 mol of sodium methanol) were added, under dry nitrogen protection. At room temperature, 17.4 g (0.25 mol) of 1,2,4-triazole was added in batches. After completion of addition, the reaction mixture was heated to reflux temperature and stirred for 4 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure. To the remaining oily residue was added 200 mL of dichloromethane and stirred at room temperature for 15 minutes. The precipitated solid product was collected by filtration to afford 22.5 g of sodium 1,2,4-triazolate (yield 98% of the theoretical value) as a colorless powder. The purity of the product was confirmed by 1H-NMR spectroscopy and no residue of the raw material 1,2,4-triazole was detected.

References

[1] Liebigs Annalen der Chemie, 1994, # 2, p. 145 - 150
[2] Patent: US2004/49028, 2004, A1. Location in patent: Page 5
[3] Chemistry of Heterocyclic Compounds, 1998, vol. 34, # 2, p. 252 - 253
[4] Journal of the American Chemical Society, 1927, vol. 49, p. 1999
[5] Patent: WO2005/105762, 2005, A1. Location in patent: Page/Page column 8; 9-10

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