Boldine
- Product NameBoldine
- CAS476-70-0
- CBNumberCB2167570
- MFC19H21NO4
- MW327.37
- EINECS207-509-9
- MDL NumberMFCD00135040
- MOL File476-70-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 162-164 °C |
| Boiling point | 465.27°C (rough estimate) |
| Density | 1.2223 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| storage temp. | 2-8°C |
| solubility | Acetonitrile (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 9.75±0.20(Predicted) |
| color | Yellow to Dark Brown |
| Merck | 13,1316 |
| BRN | 94036 |
| Major Application | food and beverages forensics and toxicology veterinary |
| InChI | 1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 |
| InChIKey | LZJRNLRASBVRRX-ZDUSSCGKSA-N |
| SMILES | COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |
| LogP | 0.837 (est) |
| CAS DataBase Reference | 476-70-0(CAS DataBase Reference) |
| FDA UNII | 8I91GE2769 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P301+P312+P330-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 1-20-24/25-45-36-26 | |||||||||
| RIDADR | 1544 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | CE0750000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29399990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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