| Weight | 139.158 g/mol |
|---|---|
| Formula | C6H9N3O |
| Hydrogen Acceptors | 4 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 3 |
4-(1H-1,2,4-triazol-1-yl)butan-2-one (884497-49-8)
884497-49-8
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- Sigma-Aldrich - Search for 4-(1H-1,2,4-triazol-1-yl)butan-2-one
- Fisher Scientific - Search for 4-(1H-1,2,4-triazol-1-yl)butan-2-one
- TCI - Search for 4-(1H-1,2,4-triazol-1-yl)butan-2-one
- 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl-meth-yl)-1,3,4-thia-diazol-2-ylsulfan-yl]butan-2-one. (Acta Crystallographica Section E-structure Reports Online, 2008)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 884497-49-8
-
SMILESCC(=O)CCN1C=NC=N1
-
InChIKeyYEOXPHBIXHBTOZ-UHFFFAOYSA-N
Suppliers
Most-cited Publications
Safety
Alternate Names
Estimated Properties
| Boiling Point | 236.13 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 231.26 C | EPI Suite |
| Density | 1.16 g/cm3 | EPA T.E.S.T. |
| Flash Point | 118.33 C | EPA T.E.S.T. |
| Melting Point | 53.39 C | EPI Suite |
| Water Solubility | 49665.5 mg/L | EPA T.E.S.T. |
| Water Solubility | 915900 mg/L | EPI Suite |
External Links
Synthesis
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
Similar Compounds
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4-(1H-1,2,4-triazol-1-yl)butan-2-one
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