2,1,3-benzothiadiazole-4-carboxylic acid
Catalog No: FT-0760081
CAS No: 3529-57-5
- Chemical Name: 2,1,3-benzothiadiazole-4-carboxylic acid
- Molecular Formula: C7H4N2O2S
- Molecular Weight: 180.19
- InChI Key: ZGDGZMOKXTUMEV-UHFFFAOYSA-N
- InChI: InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11)
| 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 |
| Bolling_Point: | 368.7ºC at 760mmHg |
|---|---|
| CAS: | 3529-57-5 |
| MF: | C7H4N2O2S |
| Density: | 1.608g/cm3 |
| Melting_Point: | 145.5ºC |
| Product_Name: | 2,1,3-benzothiadiazole-4-carboxylic acid |
| Flash_Point: | 176.8ºC |
| FW: | 180.18400 |
| MF: | C7H4N2O2S |
|---|---|
| Density: | 1.608g/cm3 |
| Computational_Chemistry: | ['1. XlogP :13 ', '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 913 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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'] |
| More_Info: | ['1 . Melting point（ºC）1455'] |
| Exact_Mass: | 179.99900 |
| Flash_Point: | 176.8ºC |
| PSA: | 91.32000 |
| Molecular_Structure: | ['1 . Molar refractive index 4750 ', '2 . Molar volume 1187 ', '3 . Parachor （902K）3505 ', '4 . Surface tension 758 ', '5 . Polarizability 1883'] |
| LogP: | 1.38950 |
| Melting_Point: | 145.5ºC |
| Bolling_Point: | 368.7ºC at 760mmHg |
| FW: | 180.18400 |
| Refractive_Index: | 1.749 |
| Hazard_Codes: | Xi:Irritant; |
|---|---|
| HS_Code: | 2934999090 |
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S26-S37/39 |
