4-Nitrotoluene CAS#99-99-0
High Physical Stability: 4-Nitrotoluene exhibits good stability under normal storage and handling conditions, maintaining its properties at room temperature.
Well-Defined Crystalline Structure: The product typically appears as colorless to pale yellow needle-like or plate-like crystals with a regular crystal structure, supporting consistent quality and processing performance.
Suitable Thermal Properties: With a melting point of approximately 51.5°C and a boiling point of 238.5°C, it offers favorable thermal characteristics for various chemical and industrial applications.
Typical Organic Nitro Compound Characteristics: Its well-established physical and chemical properties make it a valuable intermediate for organic synthesis and the production of specialty chemicals.
Product Description of 4-Nitrotoluene CAS#99-99-0
4-Nitrotoluene (CAS#99-99-0) is typically a colorless to pale yellow crystalline solid at room temperature. It commonly occurs in the form of needle-shaped or plate-like crystals with a well-defined crystal structure. The compound remains stable under normal conditions, with a melting point of approximately 51.5°C and a boiling point of 238.5°C.
Upon exposure to air, it may develop a slight yellow coloration due to trace oxidation or the presence of minor impurities. Its appearance and physical properties are characteristic of typical organic nitro compounds.
Parameters
| Melting point | 52-54 °C (lit.) |
| Boiling point | 238 °C (lit.) |
| density | 1.392 g/mL at 25 °C (lit.) |
| bulk density | 700kg/m3 |
| vapor density | 4.7 (vs air) |
| vapor pressure | 5 mm Hg ( 85 °C) |
| refractive index | 1.5382 |
| Fp | 223 °F |
| storage temp. | 2-8°C |
| solubility | 0.26g/l |
| form | Crystalline Solid |
| pka | 11.27 (Perrin, 1972) |
| Specific Gravity | 1.392 |
| color | Yellow |
| explosive limit | 1.6%(V) |
| Water Solubility | 0.35 g/L (20 ºC) |
| Merck | 146650 |
| BRN | 1906911 |
| Henry's Law Constant | 5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| Dielectric constant | 22.2（58.0℃） |
| Exposure limits | NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). |
| Stability: | Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents. |
| InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| LogP | 2.37 at 25℃ |
| CAS DataBase Reference | 99-99-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-methyl-4-nitro-(99-99-0) |
| IARC | 3 (Vol. 65) 1996 |
| EPA Substance Registry System | p-Nitrotoluene (99-99-0) |
Safety Information
| Hazard Codes | T,N,F,Xn |
| Risk Statements | 23/24/25-33-51/53-36/37/38-11-36-20/21/22 |
| Safety Statements | 28-37-45-61-28A-27-16-36/37-26 |
| OEB | A |
| OEL | TWA: 2 ppm (11 mg/m3) [skin] |
| RIDADR | UN 3446 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | XT3325000 |
| Autoignition Temperature | 734 °F |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29042000 |
| Hazardous Substances Data | 99-99-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg |
Product Application of 4-Nitrotoluene CAS#99-99-0
4-Nitrotoluene (CAS#99-99-0) is an important organic chemical intermediate widely used in the manufacture of azo dyes, Toluidine Red, and other pigment products. It also serves as a key raw material in the synthesis of pharmaceuticals, including antipyretic and analgesic agents, as well as various pesticides.
In addition, 4-nitrotoluene can be utilized as a reaction medium in organic synthesis processes and as a precursor for the preparation of polymer monomers containing nitro functional groups.
