3-Isoquinolinecarbonitrile
- Product Name3-Isoquinolinecarbonitrile
- CAS26947-41-1
- CBNumberCB9759145
- MFC10H6N2
- MW154.17
- EINECS620-659-3
- MDL NumberMFCD00075136
- MOL File26947-41-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 126-128 °C (lit.) |
| Boiling point | 348.9±15.0 °C(Predicted) |
| Density | 1.21±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 0.57±0.30(Predicted) |
| form | Crystalline Powder |
| color | White to yellow |
| Water Solubility | Insoluble in water. |
| BRN | 114887 |
| InChI | 1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H |
| InChIKey | GXXBVBVNGMCFIU-UHFFFAOYSA-N |
| SMILES | N#Cc1cc2ccccc2cn1 |
| CAS DataBase Reference | 26947-41-1(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29334900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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