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 exists as a colorless to pale yellow crystalline solid under room temperature conditions. Its physical state manifests as needle-shaped or plate-shaped crystals, featuring a relatively regular crystalline structure. This compound maintains stability at room temperature, with a melting point of around 51.5℃ and a boiling point of 238.5℃. Upon exposure to air, it might develop a slight yellow tint, which is often caused by trace oxidation or the presence of impurities. In terms of overall appearance, it exhibits the typical characteristics inherent to 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 | 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
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) acts as a key intermediate in organic chemistry, with its primary use being the synthesis of azo dyes, toluidine red, and other pigments. Beyond this, it also functions as a raw material for producing pharmaceuticals—including antipyretic and analgesic drugs—and pesticides. Additionally, it can serve as a reaction medium in organic synthesis processes or be utilized to prepare macromolecular monomers that contain nitro structures.
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