77-02-1
| Name | APROBARBITAL METHANOL SOLUTION |
| CAS | 77-02-1 |
| EINECS(EC#) | 200-997-4 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.23 |
| MOL File | 77-02-1.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) |
| form | Solid |
| pka | 7.81±0.10(Predicted) |
| 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 |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| 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 | |
| DEA Controlled Substances | CSCN: 2100 CSA SCH: Schedule III NARC: No |