BARBITAL
- Product NameBARBITAL
- CAS57-44-3
- CBNumberCB7380141
- MFC8H12N2O3
- MW184.19
- EINECS200-331-2
- MDL NumberMFCD00036212
- MOL File57-44-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 188-192°C |
| Boiling point | 318.14°C (rough estimate) |
| Density | 1.2200 |
| refractive index | 1.4200 (estimate) |
| Flash point | 11 °C |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 7.43(at 25℃) |
| color | Faintly bitter crystals from H2O; polymorphicforms; triagonal crystals, monoclinic prisms, monoclinicneedles, and triclinic cryst |
| Water Solubility | 7.149g/L(25 ºC) |
| Merck | 13,965 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | 1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChIKey | FTOAOBMCPZCFFF-UHFFFAOYSA-N |
| SMILES | CCC1(CC)C(=O)NC(=O)NC1=O |
| EWG's Food Scores | 1 |
| FDA UNII | 5WZ53ENE2P |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312-P330-P501 | |||||||||
| Hazard Codes | Xn,T,F | |||||||||
| Risk Statements | 22-39/23/24/25-23/24/25-11-63-40-20 | |||||||||
| Safety Statements | 36-45-36/37-16-7 | |||||||||
| RIDADR | UN 1230 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | CQ3500000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| Toxicity | LDLo orl-cat: 280 mg/kg PHREA7 19,472,39 | |||||||||
| DEA Controlled Substances | CSCN: 2145 CSA SCH: Schedule IV NARC: No | |||||||||
| NFPA 704: |
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