N-octanoyl benzotriazole
N-octanoyl benzotriazole structure
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Common Name | N-octanoyl benzotriazole | ||
|---|---|---|---|---|
| CAS Number | 58068-80-7 | Molecular Weight | 245.320 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 379.3±25.0 °C at 760 mmHg | |
| Molecular Formula | C14H19N3O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 183.2±23.2 °C | |
Summary: 1-(benzotriazol-1-yl)octan-1-one (N-octanoyl benzotriazole), CAS number 58068-80-7, molecular formula C14H19N3O, molecular weight 245.320. 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 | 1-(benzotriazol-1-yl)octan-1-one |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 379.3±25.0 °C at 760 mmHg |
| Molecular Formula | C14H19N3O |
| Molecular Weight | 245.320 |
| Flash Point | 183.2±23.2 °C |
| Exact Mass | 245.152817 |
| PSA | 47.78000 |
| LogP | 4.07 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.583 |
| InChIKey | QIYQQEDMCSJOAC-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(=O)n1nnc2ccccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~85%
N-octanoyl benz... CAS#:58068-80-7 |
| Literature: Wedler, Christine; Kleiner, Katharina; Kunath, Annamarie; Schick, Hans Liebigs Annales, 1996 , # 6 p. 881 - 885 |
|
~%
N-octanoyl benz... CAS#:58068-80-7 |
| Literature: Katritzky, Alan R.; Moutou, Jean-Luc; Yang, Zhijun Organic Preparations and Procedures International, 1995 , vol. 27, # 3 p. 361 - 366 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:5338-65-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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.
| 1-(1H-Benzotriazol-1-yl)octan-1-one |
| 1-(1H-Benzotriazol-1-yl)-1-octanone |
| 1-Benzotriazol-1-yl-octan-1-one |
| 1-OCTANOYLBENZOTRIAZOLE |
| 1-(n-octanoyl)benzotriazole |
| 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one |
| N-OCTANOYL BENZOTRIAZOLE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 1-(benzotriazol-1-yl)octan-1-one? |
| A: Molecular weight of 1-(benzotriazol-1-yl)octan-1-one is 245.320. |
| Q: What is the molecular formula of 1-(benzotriazol-1-yl)octan-1-one? |
| A: Molecular formula of 1-(benzotriazol-1-yl)octan-1-one is C14H19N3O. |
| Q: What is the SMILES notation of 1-(benzotriazol-1-yl)octan-1-one? |
| A: SMILES notation of 1-(benzotriazol-1-yl)octan-1-one is CCCCCCCC(=O)n1nnc2ccccc21. |
| Q: What are the downstream products of 1-(benzotriazol-1-yl)octan-1-one? |
| A: Related downstream products(CAS) of 1-(benzotriazol-1-yl)octan-1-one: 5338-65-8. |
| Q: What is the InChIKey of 1-(benzotriazol-1-yl)octan-1-one? |
| A: InChIKey of 1-(benzotriazol-1-yl)octan-1-one is QIYQQEDMCSJOAC-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 1-(benzotriazol-1-yl)octan-1-one? |
| A: Related upstream materials(CAS) of 1-(benzotriazol-1-yl)octan-1-one: 95-14-7;111-64-8;463-58-1;13125-66-1;117632-84-5. |
| Q: What is the CAS number of 1-(benzotriazol-1-yl)octan-1-one? |
| A: CAS number of 1-(benzotriazol-1-yl)octan-1-one is 58068-80-7. |
| Q: What is the polar surface area (PSA) of 1-(benzotriazol-1-yl)octan-1-one? |
| A: Polar surface area (PSA) of 1-(benzotriazol-1-yl)octan-1-one is 47.78000. |
| Q: What English synonyms does 1-(benzotriazol-1-yl)octan-1-one have? |
| A: English synonyms of 1-(benzotriazol-1-yl)octan-1-one: 1-(1H-Benzotriazol-1-yl)octan-1-one, 1-(1H-Benzotriazol-1-yl)-1-octanone, 1-Benzotriazol-1-yl-octan-1-one, 1-OCTANOYLBENZOTRIAZOLE, 1-(n-octanoyl)benzotriazole, 1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one, N-OCTANOYL BENZOTRIAZOLE. |
| Q: What is the LogP of 1-(benzotriazol-1-yl)octan-1-one? |
| A: LogP of 1-(benzotriazol-1-yl)octan-1-one is 4.07. |
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. |