6-Bromo-1,2-benzisothiazole-3-carboxylic acid
6-Bromo-1,2-benzisothiazole-3-carboxylic acid structure
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Common Name | 6-Bromo-1,2-benzisothiazole-3-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 677304-75-5 | Molecular Weight | 258.09200 | |
| Density | 1.912 | Boiling Point | 337.5ºC at 760 mmHg | |
| Molecular Formula | C8H4BrNO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 6-Bromobenzo[d]isothiazole-3-carboxylic acid (Chinese name: 6-溴-1,2-苯并异噻唑-3-甲酸)，molecular formula: C8H4BrNO2S, molecular weight: 258.09200. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Bromobenzo[d]isothiazole-3-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.912 |
|---|---|
| Boiling Point | 337.5ºC at 760 mmHg |
| Molecular Formula | C8H4BrNO2S |
| Molecular Weight | 258.09200 |
| Exact Mass | 256.91500 |
| PSA | 78.43000 |
| LogP | 2.75700 |
| Index of Refraction | 1.753 |
| InChIKey | FWQJCLJQWQXNTD-UHFFFAOYSA-N |
| SMILES | O=C(O)c1nsc2cc(Br)ccc12 |
| Storage condition | 2-8℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
6-Bromo-1,2-ben... CAS#:677304-75-5 |
| Literature: ARRAY BIOPHARMA INC.; GENENTECH, INC. Patent: WO2009/89462 A1, 2009 ; Location in patent: Page/Page column 81 ; WO 2009/089462 A1 |
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6-Bromo-1,2-ben... CAS#:677304-75-5 |
| Literature: WO2007/92751 A2, ; Page/Page column 34 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 2 | |
![Ethyl 6-bromobenzo[d]isothiazole-3-carboxylate structure](https://image.chemsrc.com/caspic/254/858671-74-6.png)
CAS#:858671-74-6
CAS#:932702-07-3This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-bromo-1,2-benzothiazole-3-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: LogP of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is 2.75700. |
| Q: What is the molecular weight of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: Molecular weight of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is 258.09200. |
| Q: What is the English name of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: The English name of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is 6-Bromobenzo[d]isothiazole-3-carboxylic acid. |
| Q: What English synonyms does 6-Bromobenzo[d]isothiazole-3-carboxylic acid have? |
| A: English synonyms of 6-Bromobenzo[d]isothiazole-3-carboxylic acid: 6-bromo-1,2-benzothiazole-3-carboxylic acid. |
| Q: What is the SMILES notation of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: SMILES notation of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is O=C(O)c1nsc2cc(Br)ccc12. |
| Q: What is the polar surface area (PSA) of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: Polar surface area (PSA) of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is 78.43000. |
| Q: What are the downstream products of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: Related downstream products(CAS) of 6-Bromobenzo[d]isothiazole-3-carboxylic acid: 858671-74-6;932702-07-3. |
| Q: What is the molecular formula of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: Molecular formula of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is C8H4BrNO2S. |
| Q: What is the InChIKey of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: InChIKey of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is FWQJCLJQWQXNTD-UHFFFAOYSA-N. |
| Q: What is the CAS number of 6-Bromobenzo[d]isothiazole-3-carboxylic acid? |
| A: CAS number of 6-Bromobenzo[d]isothiazole-3-carboxylic acid is 677304-75-5. |
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. |