(3-Bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid
- Product Name(3-Bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid
- CAS78266-06-5
- CBNumberCB7187364
- MFC15H19BrN2O5
- MW387.23
- EINECS278-877-6
- MDL NumberMFCD00216974
- MOL File78266-06-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 193-198 °C |
| Boiling point | 577.4±50.0 °C(Predicted) |
| Density | 1.5766 (rough estimate) |
| refractive index | 1.6520 (estimate) |
| storage temp. | 2-8°C |
| pka | 1.68±0.10(Predicted) |
| form | Solid |
| color | White to off-white |
| Water Solubility | Soluble in dimethylsulphoxide and ethanol. Insoluble in water. |
| BRN | 10474727 |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23) |
| InChIKey | MHPZZZZLAQGTHT-UHFFFAOYSA-N |
| SMILES | Brc1c(c(c(cc1C)C)NC(=O)CN(CC(=O)O)CC(=O)O)C |
| FDA UNII | 7PV0B6ED98 |
| NCI Drug Dictionary | Choletec |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| RTECS | MB9121850 | |||||||||
| HS Code | 2924296000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | LD50 in mice, rats (mg/kg): 213.8, 226.4 i.v. (Jiang) | |||||||||
| NFPA 704: |
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