2-chlorobenzo[d]thiazole-6-carbonitrile
![2-chlorobenzo[d]thiazole-6-carbonitrile Structure](https://image.chemsrc.com/caspic/446/80945-83-1.png)
2-chlorobenzo[d]thiazole-6-carbonitrile structure
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Common Name | 2-chlorobenzo[d]thiazole-6-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 80945-83-1 | Molecular Weight | 194.641 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 336.6±15.0 °C at 760 mmHg | |
| Molecular Formula | C8H3ClN2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 157.4±20.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Chlorobenzothiazole-6-carbonitrile |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.6±15.0 °C at 760 mmHg |
| Molecular Formula | C8H3ClN2S |
| Molecular Weight | 194.641 |
| Flash Point | 157.4±20.4 °C |
| Exact Mass | 193.970551 |
| PSA | 64.92000 |
| LogP | 2.85 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.700 |
| InChIKey | DHBTVASVKVLZBJ-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc2nc(Cl)sc2c1 |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2934200090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~59%
2-chlorobenzo[d... CAS#:80945-83-1 |
| Literature: NOVO NORDISK A/S Patent: WO2007/110364 A1, 2007 ; Location in patent: Page/Page column 38 ; WO 2007/110364 A1 |
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2-chlorobenzo[d... CAS#:80945-83-1 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 17 p. 5392 - 5395 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934200090 |
|---|---|
| Summary | 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. 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.
| 2-Chloro-1,3-benzothiazole-6-carbonitrile |
| 2-chlorobenzo[d]thiazole-6-carbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: SMILES notation of 2-Chlorobenzothiazole-6-carbonitrile is N#Cc1ccc2nc(Cl)sc2c1. |
| Q: What is the polar surface area (PSA) of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: Polar surface area (PSA) of 2-Chlorobenzothiazole-6-carbonitrile is 64.92000. |
| Q: What is the CAS number of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: CAS number of 2-Chlorobenzothiazole-6-carbonitrile is 80945-83-1. |
| Q: What is the LogP of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: LogP of 2-Chlorobenzothiazole-6-carbonitrile is 2.85. |
| Q: What English synonyms does 2-Chlorobenzothiazole-6-carbonitrile have? |
| A: English synonyms of 2-Chlorobenzothiazole-6-carbonitrile: 2-Chloro-1,3-benzothiazole-6-carbonitrile, 2-chlorobenzo[d]thiazole-6-carbonitrile. |
| Q: What is the English name of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: The English name of 2-Chlorobenzothiazole-6-carbonitrile is 2-Chlorobenzothiazole-6-carbonitrile. |
| Q: What is the boiling point of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: Boiling point of 2-Chlorobenzothiazole-6-carbonitrile is 336.6±15.0 °C at 760 mmHg. |
| Q: What are the storage conditions for 2-Chlorobenzothiazole-6-carbonitrile? |
| A: Storage conditions for 2-Chlorobenzothiazole-6-carbonitrile: 2-8°C. |
| Q: What is the molecular formula of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: Molecular formula of 2-Chlorobenzothiazole-6-carbonitrile is C8H3ClN2S. |
| Q: What is the InChIKey of 2-Chlorobenzothiazole-6-carbonitrile? |
| A: InChIKey of 2-Chlorobenzothiazole-6-carbonitrile is DHBTVASVKVLZBJ-UHFFFAOYSA-N. |
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. |