5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Catalog No: FT-0620682
CAS No: 6345-55-7
- Molecular Formula: 222.2
- Formula Weight: C9H4NO4S-
- Inchl Key: ZGSMHACHDULBBY-UHFFFAOYSA-M
- Inchl: InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)/p-1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 473.6ºC at 760 mmHg |
|---|---|
| MF: | C9H5NO4S |
| Density: | 1.624 g/cm3 |
| FW: | 223.20500 |
| Product_Name: | 5-Nitrobenzo[b]thiophene-2-carboxylic acid |
| CAS: | 6345-55-7 |
| Flash_Point: | 240.2ºC |
| Melting_Point: | 239-241ºC |
| Bolling_Point: | 473.6ºC at 760 mmHg |
|---|---|
| MF: | C9H5NO4S |
| Density: | 1.624 g/cm3 |
| FW: | 223.20500 |
| Exact_Mass: | 222.99400 |
| PSA: | 111.36000 |
| LogP: | 3.03090 |
| Flash_Point: | 240.2ºC |
| Computational_Chemistry: | ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA :111 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :290 ', '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: | 239-241ºC |
| Safety_Statements: | S26-S37/39 |
|---|---|
| HS_Code: | 2934999090 |
| Hazard_Codes: | Xi:Irritant; |
| Risk_Statements(EU): | R36/37/38 |
