4-Amino-3-bromobenzonitrile
- Product Name4-Amino-3-bromobenzonitrile
- CAS50397-74-5
- CBNumberCB4491109
- MFC7H5BrN2
- MW197.03
- MDL NumberMFCD01861386
- MOL File50397-74-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 106-110 °C(lit.) |
| Boiling point | 300.3±27.0 °C(Predicted) |
| Density | 1.6480 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in Methanol |
| pka | -0.34±0.10(Predicted) |
| form | crystalline powder |
| color | Gold (hint of orange) |
| InChI | InChI=1S/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2 |
| InChIKey | POESQIHWIIWNJL-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N)C(Br)=C1 |
| CAS DataBase Reference | 50397-74-5(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H317 | |||||||||
| Precautionary statements | P261-P264-P270-P280-P301+P312-P302+P352 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-43-36/37/38-20/21/22 | |||||||||
| Safety Statements | 36/37-36/37/39-26-22 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 | |||||||||
| NFPA 704: |
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