CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 5-tert-Butyl-2,4,6-trinitro-m-xylene is a white to light-colored crystalline solid. It is insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals. |
|---|---|
| Color/Form | Plates, needles from alcohol |
| Odor | Strong musk odor |
| Melting Point | 111.5 °C |
| Solubility | In water, 0.15 mg/L at 22 °C |
| Density | 0.77 g/cu cm |
| Vapor Pressure | 2.25X10-7 mm Hg at 25 °C |
| LogP | log Kow = 4.9 |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Kovats Retention Index | 1811 1813.6 1813.6 1813.6 1843 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P337+P313:IF eye irritation persists: Get medical advice/attention. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 297.26 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 297.09608521 g/mol |
| Monoisotopic Mass | 297.09608521 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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
5-tert-Butyl-2,4,6-trinitro-m-xylene is a white to light-colored crystalline solid. It is insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.