ChemicalBook--->CAS DataBase List--->41253-21-8

41253-21-8

41253-21-8 Structure

41253-21-8 Structure
IdentificationMore
[Name]

1,2,4-Triazolylsodium
[CAS]

41253-21-8
[Synonyms]

1,2,4-TRIA-NA
1,2,4-TRIAZOLE SODIUM DERIVATIVE
1,2,4-TRIAZOLE SODIUM SALT
1,2,4-TRIAZOLYLSODIUM
1H-1,2,4-TRIAZOLE SODIUM SALT
1-NA-1,2,4-TRIAZOLE
4H-1,2,4-TRIAZOLE SODIUM SALT
SODIUM 1,2,4-TRIAZOLE
SODIUM 1,2,4-TRIAZOLIDE
SODIUM TRIAZOLE
1,2,4-1Na-Triazole
Sodium 1,2,4-triazolide~1,2,4-Triazolyl sodium
1-NA-1,2,4-TRIAZOL
1,2,4-triazole sodium
1,2,4-TRIAZOLE, SODIUM DERIVATIVE, TECH. , 90%
1-Sodium-1,2,4-
1H-1,2,4-triazol, Natriumsalz
Sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene
Sodium 1H-1,2,4-triazolide
1,2,4-Triazole, sodium derivative, 90%, tech
[EINECS(EC#)]

255-280-9
[Molecular Formula]

C2H2N3Na
[MDL Number]

MFCD00044437
[Molecular Weight]

91.05
[MOL File]

41253-21-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to brown crystalline powder
[Melting point ]

295 °C (dec.)(lit.)
[density ]

1.255
[vapor pressure ]

0.215Pa at 20℃
[storage temp. ]

2-8°C
[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]

41253-21-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[F ]

10-21
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29339990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,2,4-Triazole-->Sodium Methoxide-->Methanol
[Preparation Products]

Anastrozole-->Flusilazole-->3,5-Bis(2-cyanoprop-2-yl)toluene-->1-(4-Nitrophenyl)methyl-1,2,4-triazole-->D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(hydroxyMethyl)-1-(1H-1,2,4-triazol-1-yl)--->METCONAZOLE-->(2R,3R)-2-(2,4-difluorophenyl)-3-(tetrahydro-2H-pyran-2-yloxy)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Sodium-1,2-4-triazolide(41253-21-8).msds
Hazard InformationBack Directory
[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]

Nonflammable
[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
Spectrum DetailBack Directory
[Spectrum Detail]

1,2,4-Triazolylsodium(41253-21-8)FT-IR
1,2,4-Triazolylsodium(41253-21-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,2,4-Triazole, sodium derivative, tech., 90%(41253-21-8)
[Alfa Aesar]

1,2,4-Triazole sodium derivative, tech. 90%(41253-21-8)
[Sigma Aldrich]

41253-21-8(sigmaaldrich)
[TCI AMERICA]

Sodium 1,2,4-Triazolide,>90.0%(N)(41253-21-8)
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