CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dinitrotoluene appears as a yellow crystalline solid or an oily liquid consisting of the three isomers. Insoluble in water and denser than water. Produces toxic oxides of nitrogen during combustion. Toxic by skin absorption, ingestion or inhalation. |
|---|---|
| Color/Form | OILY LIQUID /COMMERCIAL MIXTURE/ |
| Odor | Characteristic odor |
| Boiling Point | 482 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 158 °F (NTP, 1992) |
| Flash Point | 404 °F (NIOSH, 2023) |
| Solubility | Very slightly soluble (NTP, 1992) |
| Density | 1.3208 (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 6.3 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg (NIOSH, 2023) |
| LogP | log Kow = 2.18 /Estimate for all isomers/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation H341:Germ cell mutagenicity H350:Carcinogenicity H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 182.13 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 182.03275668 g/mol |
| Monoisotopic Mass | 182.03275668 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 220 |
| 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
Dinitrotoluene appears as a yellow crystalline solid or an oily liquid consisting of the three isomers. Insoluble in water and denser than water. Produces toxic oxides of nitrogen during combustion. Toxic by skin absorption, ingestion or inhalation.