Aprobarbital methanol solution
- Product NameAprobarbital methanol solution
- CAS77-02-1
- CBNumberCB2497884
- MFC10H14N2O3
- MW210.23
- EINECS200-997-4
- MOL File77-02-1.mol
Chemical Properties
| Melting point | 140-141.5° |
| Boiling point | 349.75°C (rough estimate) |
| Density | 1.2056 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 7.81±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | 4.121g/L(25 ºC) |
| Major Application | forensics and toxicology |
| InChI | 1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) |
| InChIKey | UORJNBVJVRLXMQ-UHFFFAOYSA-N |
| SMILES | O=C1C(C(C)C)(CC=C)C(NC(N1)=O)=O |
| FDA UNII | Q0YKG9L6RF |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501 |
| Hazard Codes | F,T |
| Risk Statements | 11-23/25-36/38 |
| Safety Statements | 16-24-45 |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
| Hazardous Substances Data | 77-02-1(Hazardous Substances Data) |
| Toxicity | LD50 i.p. in mice: 200 mg/kg (Frey) |
| DEA Controlled Substances | CSCN: 2100 CSA SCH: Schedule III NARC: No |