52188-12-2
52188-12-2 structure
- Name: 2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile
- Chemical Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile
- CAS Number: 52188-12-2
- Molecular Formula: C9H6N2O3S
- Molecular Weight: 222.22100
- Create Date: 2018-12-06 18:28:28
- Modify Date: 2024-01-09 23:10:54
| Name | 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetonitrile |
|---|---|
| Synonyms |
3-oxo-1,2-benzoisothiazoline-2-acetonitrile 1,1-dioxide
saccharin-2-acetonitrile |
| Density | 1.547g/cm3 |
|---|---|
| Boiling Point | 462.2ºC at 760 mmHg |
| Melting Point | 142ºC |
| Molecular Formula | C9H6N2O3S |
| Molecular Weight | 222.22100 |
| Flash Point | 233.3ºC |
| Exact Mass | 222.01000 |
| PSA | 86.62000 |
| LogP | 1.37338 |
| Index of Refraction | 1.633 |
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36/37 |
| HS Code | 2934999090 |
|
~82%
52188-12-2 |
| Literature: D'Ascenzio, Melissa; Carradori, Simone; De Monte, Celeste; Secci, Daniela; Ceruso, Mariangela; Supuran, Claudiu T. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 6 p. 1821 - 1831 |
|
~80%
52188-12-2 |
| Literature: Schapira, Celia B.; Perillo, Isabel A. Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 4 p. 1051 - 1056 |
|
~52%
52188-12-2 |
| Literature: Getz, John J.; Prankerd, Richard J.; Sloan, Kenneth B. Journal of Organic Chemistry, 1993 , vol. 58, # 18 p. 4913 - 4918 |
|
~76%
52188-12-2 |
| Literature: Rode, Haridas B.; Sprang; Besch; Loose; Otto, Hans-Hartwig Pharmazie, 2005 , vol. 60, # 10 p. 723 - 731 |
|
~%
52188-12-2 |
| Literature: Journal of the American Chemical Society, , vol. 77, p. 5628 |
|
~%
52188-12-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 30, # 4 p. 1051 - 1056 |
| Precursor 5 | |
|---|---|
| DownStream 0 | |
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |