2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID
Catalog No: FT-0609015
CAS No: 642-91-1
- Molecular Formula: 163.13
- Formula Weight: C8H5NO3
- Inchl Key: PHYDLUSJJFZNFG-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H,(H,10,11)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 185ºC |
|---|---|
| CAS: | 642-91-1 |
| MF: | C8H5NO3 |
| Flash_Point: | 188.0±20.4 °C |
| Product_Name: | 2,1-Benzoxazole-3-carboxylic acid |
| Density: | 1.5±0.1 g/cm3 |
| FW: | 163.130 |
| Bolling_Point: | 387.3±15.0 °C at 760 mmHg |
| Refractive_Index: | 1.661 |
|---|---|
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| Flash_Point: | 188.0±20.4 °C |
| LogP: | 1.20 |
| Bolling_Point: | 387.3±15.0 °C at 760 mmHg |
| FW: | 163.130 |
| PSA: | 63.33000 |
| Computational_Chemistry: | ['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA :633 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 185ºC |
| MF: | C8H5NO3 |
| Exact_Mass: | 163.026947 |
| Density: | 1.5±0.1 g/cm3 |
| Safety_Statements: | 26-36/37/39 |
|---|---|
| Hazard_Codes: | Xi |
| HS_Code: | 2934999090 |
| Risk_Statements(EU): | R36/37/38 |
