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Merck
CN

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

Key Documents

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Quality Level

200

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
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H302,H319,H360FD

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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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4545
STBL2410
STBL0726
44396KK
STBL2913

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. How do I find price and availability?

    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

  4. What is the Department of Transportation shipping information for this product?

    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the solubility of 1,2,4-Triazole (Product No. T46108)?

    Triazole is appreciably soluble in water and alcohol, according to the 14th edition of the chemicals encyclopedia published by the Royal Society of Chemistry.

  6. How is Product No. T46108, 1,2,4-Triazole, packaged?

    Product No. T46108 is typically packaged in a high density polyethylene (HDPE) bottle with a Teflon-lined polypropylene (PP) cap.

  7. How is Product No. T46108, 1,2,4-Triazole, produced?

    Typically the exact production methods are considered proprietary; this is also true for product T46108.  The 1,2,4-Triazole preparation is outlined in this article by C. Ainsworth: Org. Synth., 40, 99 (1960).

  8. What type of information is available for derivatives of 1,2,4-triazole (Product No. T46108)?

    A good source for information on 1,2,4-triazoles is a review article by K.T. Potts entitled The Chemistry of 1,2,4-Triazoles. Here is the citation: Chem. Rev., 61(2), 87-127 (1961).

  9. My question is not addressed here, how can I contact Technical Service for assistance?

    Ask a Scientist here.

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)
Ersin Inkaya et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 101, 218-227 (2012-10-30)
The triazole compound 1-(3-Methyl-3-mesityl)-cyclobutyl-2-(5-pyridin-4-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone, (C23H26N4OS), was characterized by X-ray single crystal diffraction technique, IR NMR spectroscopy and quantum chemical computational methods as both experimental and theoretically. The compound crystallizes in the monoclinic space group P2(1)/c with Z=4. The molecular geometry
Tummala R K Reddy et al.
ChemMedChem, 7(8), 1435-1446 (2012-05-31)
Protein interactions are increasingly appreciated as targets in small-molecule drug discovery. The interaction between the adapter protein S100A10 and its binding partner annexin A2 is a potentially important drug target. To obtain small-molecule starting points for inhibitors of this interaction, a
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