61-82-5
Product Name:
3-Amino-1,2,4-Triazole
Formula:
C2H4N4
Synonyms:
3-Amino-1,2,4-triazole;AT;3-AT;BPK;3-Amino-1H-1,2,4-triazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Amitrole appears as odorless white crystals or white powder. Bitter taste. Melting point 147-159 °C. Sublimes undecomposed at reduced pressure. Used as a post-emergence herbicide. |
|---|---|
| Color/Form | Transparent to off white crystalline powder |
| Odor | Odorless when pure. |
| Taste | Bitter taste |
| Melting Point | 318 °F (NTP, 1992) |
| Solubility | 7.6 [ug/mL] (The mean of the results at pH 7.4) |
| Density | 1.138 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 2.9 |
| Vapor Pressure | 4.41e-07 mmHg at 68 °F (NTP, 1992) |
| LogP | log Kow= -0.97 |
| Stability/Shelf Life | No shelf life limitations |
| Decomposition | When strongly heated it emits highly toxic fumes of /nitrogen oxides/. |
| Corrosivity | MILDLY CORROSIVE TO IRON, ALUMINUM, COPPER, & COPPER ALLOYS. |
| pH | FORMS NEUTRAL AQ SOLN BUT ACTS AS WEAK BASE WITH KB OF 1X10-10 |
| Dissociation Constants | pKa1 = 4.2; pKa2 = 10.7 |
| Kovats Retention Index | 1300 1324 |
| Other Experimental Properties | It will diazotize & couple with several dyes. |
| Chemical Classes | Pesticides -> Herbicides, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 84.08 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 84.043596145 g/mol |
| Monoisotopic Mass | 84.043596145 g/mol |
| Topological Polar Surface Area | 67.6 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 44.8 |
| 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
3-Amino-1,2,4-triazole appears as odorless white crystals or white powder. Bitter taste. It is Used as a post-emergence herbicide.