CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to white solid with a rotten odor; [HSDB] |
|---|---|
| Color/Form | Colorless powder |
| Odor | Rancid, putrid |
| Melting Point | 175.5 °C |
| Solubility | In water, 5.0 mg/L at 20 °C |
| Density | 1.122 g/cu cm at 20 °C |
| Vapor Pressure | 0.00000112 [mmHg] |
| LogP | log Kow = 3.40 |
| Stability/Shelf Life | Stable in neutral, weakly acidic and weakly alkaline media; hydrolysed in acidic or alkaline media. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/. |
| Corrosivity | Non-corrosive |
| Dissociation Constants | pKa = 2.0; very weak base |
| Collision Cross Section | 153.48 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 1728 1755 1754 1761.6 1747.6 1755.8 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.10X10-11 cu cm/molec-sec at 25 °C |
| Chemical Classes | Pesticides -> Herbicides, Triazine |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P314:Get medical advice/attention if you feel unwell. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 229.71 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 229.1094232 g/mol |
| Monoisotopic Mass | 229.1094232 g/mol |
| Topological Polar Surface Area | 62.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 193 |
| 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
Terbutylazine is a diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine. It is functionally related to a 6-chloro-1,3,5-triazine-2,4-diamine.