5-Isocyanato-1,3-benzodioxole
Catalog No: FT-0678565
CAS No: 69922-28-7
- Chemical Name: 5-Isocyanato-1,3-benzodioxole
- Molecular Formula: C8H5NO3
- Molecular Weight: 163.13
- InChI Key: GTTXYMVUACJZRG-UHFFFAOYSA-N
- InChI: InChI=1S/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Danger |
|---|---|
| FW: | 163.13000 |
| Density: | 1.36 g/cm3 |
| CAS: | 69922-28-7 |
| Bolling_Point: | 265.6ºC at 760 mmHg |
| Product_Name: | 5-isocyanato-1,3-benzodioxole |
| Melting_Point: | 48-51ºC(lit.) |
| Flash_Point: | 110ºC |
| MF: | C8H5NO3 |
| Molecular_Structure: | ['1 . Molar refractive index 4099 ', '2 . Molar volume 1192 ', '3 . Parachor （902K）3173 ', '4 . Surface tension 502 ', '5 . Polarizability 1625 ', '6 . Dielectric constant 未确定'] |
|---|---|
| LogP: | 1.38260 |
| Flash_Point: | 110ºC |
| Refractive_Index: | 1.603 |
| FW: | 163.13000 |
| Density: | 1.36 g/cm3 |
| Bolling_Point: | 265.6ºC at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 479 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :212 ', '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: | 48-51ºC(lit.) |
| PSA: | 47.89000 |
| Exact_Mass: | 163.02700 |
| MF: | C8H5NO3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
|---|---|
| Hazard_Codes: | Xn: Harmful; |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Safety_Statements: | 22-26-36 |
| Symbol: | Danger |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P342 + P311 |
| RIDADR: | UN 3335 |
| HS_Code: | 2932999099 |
