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Merck

T46108

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:
288-88-0
Molecular Weight:
69.07
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24900056
EC Number:
206-022-9
Beilstein/REAXYS Number:
104767
MDL number:
MFCD00005228
Assay:
98%

Key Documents

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InChI key

NSPMIYGKQJPBQR-UHFFFAOYSA-N

InChI

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

SMILES string

c1nc[nH]n1

assay

98%

bp

260 °C (lit.)

Quality Level

200

mp

119-121 °C (lit.)

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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
GHS08,GHS07

signalword

Danger

Hazard Classifications

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

Storage Class

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

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB7549
SDBB4545
STBL0726
44396KK
STBL2410

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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
Tomasz Plech et al.
European journal of medicinal chemistry, 60, 128-134 (2013-01-05)
A series of novel 1,2,4-triazole-ciprofloxacin hybrids was designed, synthesised and evaluated in vitro against drug-susceptible and drug-resistant bacteria. A significant part of the compounds obtained showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram-positive and Gram-negative species.
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