1-Phenylmethyl-5-phenyl-barbituric acid
- Product Name1-Phenylmethyl-5-phenyl-barbituric acid
- CAS72846-00-5
- CBNumberCB0315414
- MFC17H14N2O3
- MW294.3
- EINECS276-940-2
- MDL NumberMFCD00082750
- MOL File72846-00-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 163-165°C |
| Density | 1.304±0.06 g/cm3(Predicted) |
| pka | 4.29±0.20(Predicted) |
| Water Solubility | Soluble in acetone. Slightly soluble in water. |
| InChI | InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22) |
| InChIKey | KCWWCWMGJOWTMY-UHFFFAOYSA-N |
| SMILES | C1(=O)N(CC2=CC=CC=C2)C(=O)C(C2=CC=CC=C2)C(=O)N1 |
| LogP | 2.3 at 20℃ |
| CAS DataBase Reference | 72846-00-5(CAS DataBase Reference) |
| EPA Substance Registry System | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)- (72846-00-5) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H319-H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P | |||||||||
| Hazard Codes | T | |||||||||
| Risk Statements | 25 | |||||||||
| Safety Statements | 22-24/25-45 | |||||||||
| TSCA | TSCA listed | |||||||||
| NFPA 704: |
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