4-Aminobenzonitrile
- Product Name4-Aminobenzonitrile
- CAS873-74-5
- CBNumberCB6103370
- MFC7H6N2
- MW118.14
- EINECS212-850-1
- MDL NumberMFCD00007821
- MOL File873-74-5.mol
Chemical Properties
| Melting point: | 83-85 °C(lit.) |
| Boiling point: | 167 °C / 1mmHg |
| Density | 1.1151 (rough estimate) |
| vapor pressure | 0.002-0.005Pa at 20-25℃ |
| refractive index | 1.5500 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Crystalline Powder Chunks |
| pka | 1.74(at 25℃) |
| color | Off-white or beige to orange-yellow |
| Water Solubility | Soluble in ethyl acetate, dichloromethane and chloroform. Insoluble in water. |
| BRN | 774507 |
| Stability: | Toxic |
| InChI | 1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2 |
| InChIKey | YBAZINRZQSAIAY-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)C#N |
| LogP | 1 at 20℃ and pH7 |
| CAS DataBase Reference | 873-74-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzonitrile, 4-amino-(873-74-5) |
| EPA Substance Registry System | Benzonitrile, 4-amino- (873-74-5) |
Safety
| Symbol(GHS) |
  GHS07,GHS08 |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H341-H412 | |||||||||
| Precautionary statements | P202-P264-P270-P273-P301+P312-P308+P313 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36-36/37/38-20/21/22 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | BX2320000 | |||||||||
| Hazard Note | Harmful | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2926909090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Aquatic Chronic 3 Muta. 2 |
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| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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