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Key Documents

T46108

Sigma-Aldrich

1,2,4-Triazole

98%

Synonym(s):

3,4-Diazapyrrole, 4H-1,2,4-Triazole, s-Triazole (8CI)

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About This Item

Empirical Formula (Hill Notation):
C2H3N3
CAS Number:
Molecular Weight:
69.07
Beilstein:
104767
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

bp

260 °C (lit.)

mp

119-121 °C (lit.)

SMILES string

c1nc[nH]n1

InChI

1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

InChI key

NSPMIYGKQJPBQR-UHFFFAOYSA-N

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Application

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.

Pictograms

Health hazardExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

338.0 °F

Flash Point(C)

170 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Mononuclear, oligonuclear and polynuclear metal coordination compounds with 1, 2, 4-triazole derivatives as ligands.
Haasnoot JG
Coordination Chemistry Reviews, 200, 131-185 (2000)
Applications of Metal-Free 1, 2, 4-Triazole Derivatives in Materials Science.
Diaz-Ortiz A
Current Organic Chemistry, 19(7), 568-584 (2015)
1, 2, 4-Triazoles: Synthetic approaches and pharmacological importance.
Al-Masoudi IA
Chemistry of Heterocyclic Compounds, 42(11), 1377-1403 (2006)
Yaseen A Al-Soud et al.
Archiv der Pharmazie, 345(8), 610-621 (2012-04-26)
A series of disubstituted-1H-1,2,4-triazole derivatives was synthesized with the aim of developing new non-steroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 2 (17βHSD2) - a novel and attractive target for the treatment of osteoporosis. 17βHSD2 catalyzes the oxidation of the highly active
Camila C Amorim et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 48(3), 183-190 (2013-01-30)
This study evaluated the adsorption capacity of ethylenthiourea (ETU) and 1H-1,2,4-triazole (1,2,4-T) for two commercial activated carbons: charcoal-powdered activated carbon (CPAC) and bovine bone-powdered activated carbon (BPAC). The tests were conducted at a bench scale, with ETU and 1,2,4-T diluted

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