Name | 4-Nitrotoluene |
Synonyms | PNT nci9579 NCI-C60537 nitrotoluenos p-Nitrotoluene 4-Nitrotoluene p-nitro-toluen para-nitrotoluol Para-Nitrotoluene Toluene, p-nitro- p-Methylnitrobenzene 1-Methyl-4-nitrobenzene Melting point standard 4-nitrotoluene |
CAS | 99-99-0 |
EINECS | 202-808-0 |
InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
Molecular Formula | C7H7NO2 |
Molar Mass | 137.14 |
Density | 1.392 g/mL at 25 °C (lit.) |
Melting Point | 52-54 °C (lit.) |
Boling Point | 238 °C (lit.) |
Flash Point | 223°F |
Water Solubility | 0.35 g/L (20 ºC) |
Solubility | 0.26g/l |
Vapor Presure | 5 mm Hg ( 85 °C) |
Vapor Density | 4.7 (vs air) |
Appearance | Crystalline Solid |
Specific Gravity | 1.392 |
Color | Yellow |
Exposure Limit | NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). |
Merck | 14,6650 |
BRN | 1906911 |
pKa | 11.27 (Perrin, 1972) |
Storage Condition | 2-8°C |
Stability | Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents. |
Explosive Limit | 1.6%(V) |
Refractive Index | 1.5382 |
Physical and Chemical Properties | character Yellow orthorhombic six-plane crystal. |
Use | Used as pesticides, dyes, coatings, pharmaceuticals and other intermediates |
Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R33 - Danger of cumulative effects R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S37 - Wear suitable gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S28A - S27 - Take off immediately all contaminated clothing. S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
UN IDs | UN 3446 6.1/PG 2 |
WGK Germany | 2 |
RTECS | XT3325000 |
TSCA | Yes |
HS Code | 29042000 |
Hazard Class | 6.1 |
Packing Group | II |
Toxicity | LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg |
yellow orthorhombic six-plane crystal. The relative density was 1. 1038. Melting point 51.7 °c. Boiling point 238.5 °c. Refractive index 5382. Flash point 106 °c. Flammable. Insoluble in water, soluble in ethanol, ether and benzene.
toluene was nitrated with mixed acid and crystallized by distillation (see O-nitrotoluene for details).
mainly used in the manufacture of p-toluidine, toluene diisocyanate. It is also used as dye intermediates and intermediates for pesticides, pharmaceuticals, plastics and synthetic fiber auxiliaries.