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1,2,4-Triazolylsodium

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CAS:41253-21-8
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1,2,4-Triazolylsodium Basic information
Product Name:1,2,4-Triazolylsodium
Synonyms:SODIUM 1,2,4-TRIAZOLE;SODIUM 1,2,4-TRIAZOLIDE;SODIUM TRIAZOLE;1H-1,2,4-TRIAZOLE SODIUM SALT;1-NA-1,2,4-TRIAZOLE;1,2,4-TRIA-NA;1,2,4-TRIAZOLE SODIUM DERIVATIVE;1,2,4-TRIAZOLE SODIUM SALT
CAS:41253-21-8
MF:C2H4N3Na
MW:93.06
EINECS:255-280-9
Product Categories:Water treatment
Mol File:41253-21-8.mol
1,2,4-Triazolylsodium Structure
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
PH11 (100g/l, H2O, 20℃)
BRN 3570104
InChIInChI=1S/C2H3N3.Na.H/c1-3-2-5-4-1;;/h1-2H,(H,3,4,5);;
InChIKeyNVMNEWNGLGACBB-UHFFFAOYSA-N
SMILESC1=NN=CN1.[NaH]
LogP-0.71--0.7 at 20-25℃
CAS DataBase Reference41253-21-8(CAS DataBase Reference)
EPA Substance Registry System1H-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
10-21
HS Code 29339990
MSDS Information
ProviderLanguage
Sodium-1,2-4-triazolide English
SigmaAldrich English
ACROS English
ALFA English
1,2,4-Triazolylsodium Usage And Synthesis
Chemical Propertieswhite to brown crystalline powder
Uses1,2,4-Triazole Sodium Salt is an azole-based antimycotic agent that can be used to inhibit mold on unseasoned pine.
Flammability and ExplosibilityNon flammable
Synthesis
1,2,4-Triazole

288-88-0

1,2,4-Triazolylsodium

41253-21-8

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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