2-Nitroaniline
2-Nitroaniline
CAS: 88-74-4
Molecular Formula: C6H6N2O2
2-Nitroaniline - Names and Identifiers
2-Nitroaniline - Physico-chemical Properties
| Molecular Formula | C6H6N2O2 |
| Molar Mass | 138.12 |
| Density | 1,255 g/cm3 |
| Melting Point | 70-73 °C (lit.) |
| Boling Point | 284 °C (lit.) |
| Flash Point | 168 °C |
| Water Solubility | 1.1 g/L (20 ºC) |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 8.1 at 25 °C (Mabey et al., 1982) |
| Appearance | Crystals or Flakes |
| Color | Orange to brown |
| Merck | 14,6582 |
| BRN | 509275 |
| pKa | -0.26(at 25℃) |
| PH | 6.1 (10g/l, H2O, 20℃)(slurry) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents, chloroformates, hexanitroethane. |
| Refractive Index | 1.6349 (estimate) |
| Physical and Chemical Properties | Orange-red needle-like crystals. |
| Use | Used as dye intermediates and photographic ash control agent raw materials, can also be used for the production of pesticide carbendazim |
2-Nitroaniline - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R33 - Danger of cumulative effects R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R39/23/24/25 - R11 - Highly Flammable |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and 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 - S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 1661 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | BY6650000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29214210 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 1600 mg/kg LD50 dermal Rabbit > 7940 mg/kg |
2-Nitroaniline - Nature
Open Data Verified Data
orange-red needle-like crystals. The relative density was 1.442. Boiling point 284 °c. Melting point 71.5 °c. Flash point 168.3 °c. Spontaneous ignition point 521. Soluble in ethanol and ether, slightly soluble in water.
Last Update：2024-01-02 23:10:35
2-Nitroaniline - Preparation Method
Open Data Verified Data
O-nitrochlorobenzene is added into an autoclave containing ammonia water of a certain concentration at 185-190 ℃ and 4-4. 5MPa, the ammonia solution, the generation of O-nitroaniline crude after cooling, crystallization, filtration, that is, the finished product.
Last Update：2022-01-01 10:51:38
2-Nitroaniline - Use
Open Data Verified Data
This product is ice dye GC, and other dye intermediates. It is also the intermediate of pesticide carbendazim, antioxidant MB and light stabilizer UV-P.
Last Update：2022-01-01 10:51:37
2-Nitroaniline - Safety
Open Data Verified Data
- toxic. Rat oral LD50 3500mg/kg. The maximum allowable concentration in the air of the workplace is 0. 5mg/m3.
- sealed in iron drum, 200kg net weight per barrel. Store in a cool, dry, ventilated place. Do not expose to the Sun, do not mix with flammable materials and food, and Isolation of the fire source and heat source. Hazardous materials shall be stored and transported according to regulations.
Last Update：2022-01-01 10:51:38
2-Nitroaniline - Reference Information
| Color index | 37025 |
| Henry's Law Constant | 5.88 x 10-8 atm?m3/mol at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| LogP | 1.85 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | as a raw material for dye intermediates and photographic anti-ash agents, it can also be used in the production of pesticide carbendazim O-Nitroaniline is an intermediate of bactericide carbendazim, benomyl, thiophanate, thiabendazole and insecticide quetiapine. The product is ice dye base (orange GC), as well as other dye intermediates, can be used for hand cotton fabric dyeing, can also be made Lake. It is also an intermediate of rubber antioxidant MB, pesticide carbendazim and light stabilizer UV-P. This product is an important intermediate in organic synthesis for the determination of trace iodide. |
| production method | O-nitrochlorobenzene is added into an autoclave containing a certain concentration of ammonia, and aminolysis is carried out at 185-190 ℃ and 4-4.5MPa, generation of O-nitroaniline crude product after cooling, crystallization, filtration, that is to get the finished product. Raw material consumption quota: O-nitrochlorobenzene 1156kg/t, liquid ammonia 648kg/t. The preparation method is obtained by ammonolysis of O-chloronitrobenzene, and the process is continuously carried out in a high-pressure pipeline reactor at a pressure of 14.7 MPa and a temperature of 230 ℃, when the O-chloronitrobenzene and ammonia enter the reaction pipeline and stay for 20min, the pressure is reduced to 98kPa by the pneumatic membrane regulating valve, and then enter the expansion tank for evaporation and Ammonia removal, the evaporated ammonia enters the ammonia suction pipe through the injection pump for circulation absorption, and is supplied with partial liquid ammonia for ammonolysis. The deammoniated material is processed to obtain the product. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1600 mg/kg; Oral-mouse LD50: 1070 mg/kg |
| flammability hazard characteristics | open flame flammability; Toxic NOx smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| fire extinguishing agent | water, foam, carbon dioxide, sand |
| Occupational Standard | SEL 0.5 mg/m3 |
| spontaneous combustion temperature | 521°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:53
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