4-Nitrotoluene
CAS Number:99-99-0
Chemical Formula: C7H7NO2
Synonyms:
nitrotoluenos
para-nitrotoluol
p-Methylnitrobenzene
Appearance: Yellow Crystalline Solid
HS Code: 29042000
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Products Description of 4-Nitrotoluene CAS#99-99-0
4-Nitrotoluene (CAS#99-99-0) typically appears as a colorless to light yellow crystalline solid at room temperature. It forms needle-like or plate-like crystals with a well-defined structure. This compound is stable under ambient conditions, with a melting point near 51.5℃ and boiling point near 238.5℃. Upon exposure to air, it may develop a pale yellow tint due to minor oxidation or trace impurities. Overall, it exhibits the typical physical traits of organic nitro compounds. 
Parameters
| Parameter | Value |
| 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 | 14,6650 |
| 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
| Item | Details |
| 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
4-nitrotoluene (CAS#99-99-0) is a key organic chemical intermediate. It is widely used in synthesizing azo dyes, pigments such as toluidine red, and other colorants. It also serves as a raw material for manufacturing pharmaceuticals (including antipyretics and analgesics) and pesticides. In addition, it can act as a reaction medium in organic synthesis or be used to prepare high-molecular monomers with nitro functional groups.
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