3-Nitroaniline
- Product Name3-Nitroaniline
- CAS99-09-2
- CBNumberCB8715335
- MFC6H6N2O2
- MW138.12
- EINECS202-729-1
- MDL NumberMFCD00007782
- MOL File99-09-2.mol
Chemical Properties
| Melting point: | 111-114 °C (lit.) |
| Boiling point: | 306 °C |
| Density | 0,901 g/cm3 |
| vapor pressure | 1 mm Hg ( 119 °C) |
| refractive index | 1.6396 (estimate) |
| Flash point: | 196 °C |
| storage temp. | Store below +30°C. |
| solubility | 1.25g/l |
| form | Crystals, Crystalline Powder and/or Chunks |
| Colour Index | 37030 |
| pka | 2.466(at 25℃) |
| Specific Gravity | 0.901 |
| color | Yellow to ochre-yellow to orange |
| Water Solubility | 1.25 g/L |
| Specific Heat Capacity | Cp(crystal): 1.15 J/(g·K), at 25℃ |
| Merck | 14,6581 |
| BRN | 636962 |
| Henry's Law Constant | 1.93 x 10-5 atmm3/mol at 25 °C (approximate - calculated from water solubility and vapor pressure) |
| InChI | 1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2 |
| InChIKey | XJCVRTZCHMZPBD-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)[N+]([O-])=O |
| CAS DataBase Reference | 99-09-2(CAS DataBase Reference) |
| NIST Chemistry Reference | m-Nitroaniline(99-09-2) |
| EPA Substance Registry System | m-Nitroaniline (99-09-2) |
Safety
| Symbol(GHS) |
  GHS06,GHS08 |
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| Signal word | Danger | |||||||||
| Hazard statements | H301+H311+H331-H373-H412 | |||||||||
| Precautionary statements | P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314 | |||||||||
| target organs | Kidney,Liver,Heart,Blood | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | T | |||||||||
| Risk Statements | 23/24/25-33-52/53 | |||||||||
| Safety Statements | 28-36/37-45-61-28A | |||||||||
| RIDADR | UN 1661 (NITROANILINES (o-, m-, p-)) | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | BY6825000 | |||||||||
| F | 8 | |||||||||
| Autoignition Temperature | 521℃ | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29214210 | |||||||||
| Storage Class |
6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
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| Hazard Classifications |
Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Chronic 3 STOT RE 2 Oral |
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| Hazardous Substances Data | 99-09-2(Hazardous Substances Data) | |||||||||
| Toxicity | Acute LD50 for guinea pigs 450 mg/kg, mice 308 mg/kg, quail 562 mg/kg, rats 535 mg/kg (quoted, RTECS, 1985). | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 0.5 Kg (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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