(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC
(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC structure
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Common Name | (1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC | ||
|---|---|---|---|---|
| CAS Number | 52188-11-1 | Molecular Weight | 241.22100 | |
| Density | 1.665g/cm3 | Boiling Point | 514ºC at 760 mmHg | |
| Molecular Formula | C9H7NO5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 264.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.665g/cm3 |
|---|---|
| Boiling Point | 514ºC at 760 mmHg |
| Molecular Formula | C9H7NO5S |
| Molecular Weight | 241.22100 |
| Flash Point | 264.7ºC |
| Exact Mass | 241.00400 |
| PSA | 100.13000 |
| LogP | 0.93440 |
| Index of Refraction | 1.653 |
| InChIKey | MQAZHTHFEBUHCD-UHFFFAOYSA-N |
| SMILES | O=C(O)CN1C(=O)c2ccccc2S1(=O)=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~86%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| 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 |
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~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Chiesi Farmaceutici S.p.A.; ARMANI, Elisabetta; Amari, Gabriele; Capaldi, Carmelida; Carzaniga, Laura; La Porta, Elena; Guala, Matilde Patent: US2013/102576 A1, 2013 ; |
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~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Wrobel, Jay; Dietrich, Arlene; Woolson, Shiela A.; Millen, Jane; McCaleb, Michael; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 24 p. 4613 - 4627 |
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~54%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Soubh; Besch; Otto, Hans-Hartwig Pharmazie, 2002 , vol. 57, # 6 p. 384 - 392 |
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~56%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Arief Phosphorus, Sulfur and Silicon and Related Elements, 1996 , vol. 114, # 1-4 p. 129 - 134 |
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~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Abe; Yamamoto Yakugaku Zasshi, 1953 , vol. 73, p. 1322,1325 Chem.Abstr., 1955 , p. 177 |
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~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Reddy, Yervala D.; Kumar, Padam P.; Devi, Bhoomireddy R.; Dubey, Pramod K.; Kumari, Yalamanchili B. Letters in Organic Chemistry, 2013 , vol. 10, # 1 p. 70 - 76 |
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~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Miao, Lei; Xu, Liang; Narducy, Kenneth W.; Trudell, Mark L. Organic Process Research and Development, 2009 , vol. 13, # 4 p. 820 - 822 |
![2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-6-((TRIMETHYLSILYL)ETHYNYL)FURO[3,2-B]PYRIDINE structure](https://image.chemsrc.com/caspic/210/24683-20-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
CAS#:36322-90-4
CAS#:182502-68-7
CAS#:15246-95-4
CAS#:65897-46-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Selectivity ratio of Ki for human carbonic anhydrase 1 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129536
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Name: Selectivity ratio of Ki for human carbonic anhydrase 2 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129537
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Name: Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3129538
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Name: Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3129539
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Name: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3129540
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3129541
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by sto...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3762504
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Polar surface area (PSA) of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is 100.13000. |
| Q: What are the upstream materials of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Related upstream materials(CAS) of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid: 24683-20-3;81-07-2;128-44-9;6639-62-9;79-11-8;220223-03-0;81-08-3;56-40-6;79-08-3. |
| Q: What is the boiling point of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Boiling point of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is 514ºC at 760 mmHg. |
| Q: What is the LogP of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: LogP of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is 0.93440. |
| Q: What is the SMILES notation of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: SMILES notation of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is O=C(O)CN1C(=O)c2ccccc2S1(=O)=O. |
| Q: What is the molecular weight of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Molecular weight of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is 241.22100. |
| Q: What is the InChIKey of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: InChIKey of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is MQAZHTHFEBUHCD-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Molecular formula of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is C9H7NO5S. |
| Q: What are the downstream products of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: Related downstream products(CAS) of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid: 36322-90-4;182502-68-7;15246-95-4;65897-46-3. |
| Q: What is the English name of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid? |
| A: The English name of 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid is 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |