3-Ethyl-1H-1,2,4-triazole

Product Name: 3-Ethyl-1H-1,2,4-triazole
CAS No.: 7411-16-7
Chemical Name: 3-Ethyl-1H-1,2,4-triazole
Synonyms: s-Triazole, 3-ethyl-;3-Ethyl-1H-1,2,4-triazole;3-ethyl-4H-1,2,4-triazole;5-ethyl-1H-1,2,4-triazole;3-ethyl-2H-1,2,4-triazole;3-ETHYL-1,2,4(1H)-TRIAZOLE;1H-1,2,4-Triazole, 5-ethyl-;1H-1,2,4-triazole, 3-ethyl-;3-ethyl-1H-1,2,4-triazole(SALTDATA: FREE)
CBNumber: CB02417664
Molecular Formula: C4H7N3
Formula Weight: 97.12
MOL File: 7411-16-7.mol

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3-Ethyl-1H-1,2,4-triazole Property

Melting point:: 61-62 °C
Boiling point:: 235.3±23.0 °C(Predicted)
Density: 1.116±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.60±0.20(Predicted)
InChI: InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKey: JDIPHBYZUMQFQV-UHFFFAOYSA-N
SMILES: N1C(CC)=NC=N1

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Safety

HazardClass: IRRITANT

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H228Flammable solid

H252Self-heating in large quantities; may catch fire

Precautionary statements

P235+P410Keep cool. Protect from sunlight.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: E902265
Product name: 3-ethyl-1H-1,2,4-triazole
Packaging: 100mg
Price: $90
Updated: 2021/12/16

Matrix Scientific

Product number: 062695
Product name: 3-Ethyl-1H-1,2,4-triazole
Packaging: 500mg
Price: $315
Updated: 2021/12/16

Ambeed

Product number: A159500
Product name: 3-Ethyl-1H-1,2,4-triazole
Purity: 95%
Packaging: 100mg
Price: $39
Updated: 2021/12/16

Ambeed

Product number: A159500
Product name: 3-Ethyl-1H-1,2,4-triazole
Purity: 95%
Packaging: 250mg
Price: $57
Updated: 2021/12/16

ChemBridge Corporation

Product number: BB-4034840
Product name: 3-ethyl-1H-1,2,4-triazole
Purity: 95%
Packaging: 250mg
Price: $64
Updated: 2021/12/16

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3-Ethyl-1H-1,2,4-triazole Chemical Properties,Usage,Production

Synthesis

631-58-3

624-84-0

7411-16-7

Procedure: a solid mixture of formylhydrazine (6.0 g, 0.1 mol; Aldrich) and thiopropionamide (8.92 g, 0.1 mol; TCI) was heated in an oil bath at 150 °C with stirring and under nitrogen protection for 2 hours. After completion of the reaction, it was cooled to room temperature and allowed to stand overnight. The solid reaction mixture was suspended in 20% EtOAc/CH2Cl2 mixed solvent, filtered to remove insoluble solids and the filtrate was concentrated under reduced pressure. The residue was purified by column chromatography with a gradient elution of 50-80% EtOAc/CH2Cl2 to remove the by-products, followed by 10% MeOH/CH2Cl2, and the target product, 3-ethyl-1H-1,2,4-triazole, 5.4 g (0.056 mol, 56% yield), was collected as a white solid. Mass spectrum (ESI-) m/z 96 ([M-H]-); 1H NMR (CDCl3) δ 1.37 (3H, t, J = 7.5 Hz), 2.88 (2H, q, J = 7.5 Hz), 8.06 (1H, s, 5-H), 9.4 (1H, br, NH). Ref: Vanek, T.; Velkova, V.; Gut, Jiri Coll. Czech. Chem. Commun. 1985, 49, 2492.

References

[1] Patent: US2004/110785, 2004, A1. Location in patent: Page 221-222
[2] Journal of Medicinal Chemistry, 2018, vol. 61, # 14, p. 6308 - 6327

3-Ethyl-1H-1,2,4-triazole Preparation Products And Raw materials

Raw materials

Preparation Products

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