CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder; Other Solid; Pellets or Large Crystals |
|---|---|
| Color/Form | Needles from benzene/ethanol |
| Boiling Point | 260 °C (decomposes) |
| Melting Point | 120-121 °C |
| Flash Point | 170 °C closed cup |
| Solubility | Soluble in water, ethanol |
| Density | 640 kg/m³ |
| Vapor Pressure | 0.6 [mmHg] |
| LogP | log Kow = -0.58 |
| Autoignition Temperature | 490 °C |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitroxides/. |
| Kovats Retention Index | 1116 1116 |
| Other Experimental Properties | When heated to decomposition it emits toxic vapors of NOx |
| Chemical Classes | Nitrogen Compounds -> Triazoles |
COMPUTED DESCRIPTORS
| Molecular Weight | 69.07 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 69.032697108 g/mol |
| Monoisotopic Mass | 69.032697108 g/mol |
| Topological Polar Surface Area | 41.6 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 28.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1H-1,2,4-triazole is a 1,2,4-triazole. It is a tautomer of a 3H-1,2,4-triazole and a 4H-1,2,4-triazole.