Substance profile
4-Nitrotoluene
4-Nitrotoluene is yellowish crystals with a bitter almond odor.
01 · Identification
What 4-Nitrotoluene is
4-Nitrotoluene is yellowish crystals with a bitter almond odor. Its molecular formula is C7H7NO2 and its molecular weight is 137.14 g/mol. It boils at 238 °C, melts at 51.7 °C, is soluble in water.
Under the GHS it carries the signal word Danger. It is classed as reactive agents - 1st degree.
02 · GHS classification
Hazards and label elements
Harmonised classification under CLP Annex VI. This is the legally binding classification in the EU; other jurisdictions may differ.
| Code | Hazard statement |
|---|---|
| H331 | Toxic if inhaled. |
| H311 | Toxic in contact with skin. |
| H301 | Toxic if swallowed. |
| H373 | May cause damage to organs <or state all organs affected, if known> through prolonged or repeated exposure <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>. |
| H411 | Toxic to aquatic life with long lasting effects. |
Precautionary statements: P260, P270, P271, P273, P280, P301, P302, P304, P310, P314, P330, P352, P391, P501
03 · Physical and chemical properties
4-Nitrotoluene properties
Every value is shown with the conditions it was measured under and the source it came from. Where sources disagree, all values are listed rather than one being picked — the difference is usually a different form of the substance, not an error.
| Property | Value | Conditions | Source |
|---|---|---|---|
| Boiling point | 238.3 °C (460.9 °F) | HSDB | |
| 237.78 °C (460 °F) | NIOSH | ||
| 238.28 °C (460.9 °F) | at 760 mmHg | CAMEO | |
| Melting point | 51.7 °C (125.1 °F) | HSDB | |
| 52.22 °C (126 °F) | NIOSH | ||
| 54.5 °C (130.1 °F) | CAMEO | ||
| Density | 1.1038 g/cm³ | HSDB | |
| 1.12 g/cm³ | NIOSH | ||
| 1.286 g/cm³ | at 20 °C | CAMEO | |
| Solubility | Soluble in alcohol, benzene, ether, chloroform, acetone | HSDB | |
| Soluble in ethanol; very soluble in ethyl ether, acetone, benzene, carbon tetrachloride, chloroform, pyridine, toluene, carbon disulfide. | HSDB | ||
| In water, 361 mg/L at 25 °C | at 25 °C | HSDB | |
| Vapor pressure | 0.1 mmHg | NIOSH | |
| 0.12 mmHg | at 20 °C | ICSC | |
| 0.0157 mmHg | at 25 °C, extrapolated | HSDB | |
| Flash point | 106.11 °C (223 °F) | HSDB | |
| Autoignition temperature | 450 °C (842 °F) | HSDB | |
| Lower explosive limit (LEL) | 1.6 % by volume | NIOSH | |
| Vapor density | 4.72 (air = 1) | HSDB | |
| Odor threshold | Odor Threshold Low: 0.00072 [ppm] | Haz-Map | |
| Odor threshold (detection) from CHEMINFO | Haz-Map | ||
| Critical temperature and pressure | 469.85 °C (877.7 °F) | HSDB |
Values compiled from PubChem Laboratory Chemical Safety Summary. Temperatures converted to Fahrenheit for reference.
04 · Fire and explosion
Fire and explosion behaviour of 4-Nitrotoluene
These are descriptions rather than measured values, so they are kept out of the table above and quoted here with the source that reported them.
Fire and explosion
The residue from large-scale vacuum distillation of 4-nitrotoluene was left to cool after turning off heat and vacuum, and after 8 hours a violent explosion occured. This was variously attributed to: presence of an excessive proportion of dinitrotoluenes in the residue, which would decompose on prolonged heating; presence of traces of alkali in the crude material, which would form unstable aci-nitro salts during distillation; ingress of air to the hot residue on shutting off the vacuum supply, and subsequent accelerating oxidation of the residue. All these factors may have contributed, and several such incidents have occured.
Source: HSDB
05 · Handling and storage
Storing and handling 4-Nitrotoluene
Storage conditions
Store in a cool. dry, well-ventilated location. Separate from acids, alkalies, oxidizing materials, and reducing agents.
Source: Hazardous Substances Data Bank (HSDB)
Incompatible materials
Decomposes on contact with strong oxidzers; strong acids; reducing agents; strong bases; ammonia, amines producing toxic fumes, causing fire and explosion hazard. Heat above 190 °C may cause explosive decomposition. Attacks some plastics, rubbers, and coatings.
Source: Hazardous Substances Data Bank (HSDB)
Reactivity
P-NITROTOLUENE may react violently with sodium, tetranitromethane, strong oxidizing agents , sulfuric acid and other acids. (NTP, 1992)
Source: CAMEO Chemicals
Planning storage for a mix of chemicals? Check 4-Nitrotoluene in the storage compatibility matrix →