4-Isoquinolineboronic acid pinacol ester
- Product Name4-Isoquinolineboronic acid pinacol ester
- CAS685103-98-4
- CBNumberCB7159248
- MFC15H18BNO2
- MW255.12
- MDL NumberMFCD05663891
- MOL File685103-98-4.mol
Chemical Properties
| Melting point: | 98-102 °C (lit.) |
| Boiling point: | 397.5±15.0 °C(Predicted) |
| Density | 1.10±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | powder to crystal |
| pka | 5.30±0.10(Predicted) |
| color | White to Light yellow |
| InChI | InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3 |
| InChIKey | LOMKRPABAXIQJL-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=CC=C2)C(B2OC(C)(C)C(C)(C)O2)=CN=1 |
| CAS DataBase Reference | 685103-98-4(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2933499090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704: |
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