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 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
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
1,2,4-Triazole is a five-membered, π-exo, aromatic nitrogen heterocyclic ring consisting of two carbon atoms and three nitrogen atoms located in positions 1, 2 and 4 of the ring. All atoms in 1,2,4-triazole are sp2 heterozygous and the ring has a 6π-electron dispersion, thus giving it aromatic properties. It exists in two interconjugated isomeric forms, 1 H-1,2,4-triazole and 4 H-1,2,4-triazole, and is difficult to isolate. Drugs based on 1,2,4-triazoles have a wide range of pharmacological effects such as antifungal, antiviral, herbicide, and catalase inhibitor, and are widely used in the treatment of a variety of clinical diseases.