1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid
1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid structure
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Common Name | 1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid | ||
|---|---|---|---|---|
| CAS Number | 344591-91-9 | Molecular Weight | 193.919 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 311.3±52.0 °C at 760 mmHg | |
| Molecular Formula | C5H6BF3N2O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 142.0±30.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Methyl-3-trifluoromethylpyrazole-5-boronic 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 311.3±52.0 °C at 760 mmHg |
| Molecular Formula | C5H6BF3N2O2 |
| Molecular Weight | 193.919 |
| Flash Point | 142.0±30.7 °C |
| Exact Mass | 194.047440 |
| PSA | 58.28000 |
| LogP | 0.51 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.463 |
| InChIKey | XPUNXPPXMANQGF-UHFFFAOYSA-N |
| SMILES | Cn1nc(C(F)(F)F)cc1B(O)O |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| RIDADR | NONH for all modes of transport |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~85%
1-Methyl-3-trif... CAS#:344591-91-9 |
| Literature: WO2005/12254 A1, ; Page/Page column 135-136 ; WO 2005/012254 A1 |
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~64%
1-Methyl-3-trif... CAS#:344591-91-9 |
| Literature: WO2012/7868 A2, ; Page/Page column 75 ; |
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1-Methyl-3-trif... CAS#:344591-91-9
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| Literature: WO2009/43883 A1, ; Page/Page column 46-47 ; WO 2009/043883 A1 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. 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-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid |
| 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-boronic acid |
| (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid |
| [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: InChIKey of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is XPUNXPPXMANQGF-UHFFFAOYSA-N. |
| Q: What English synonyms does 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid have? |
| A: English synonyms of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid: [1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid, 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-boronic acid, (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid, [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid. |
| Q: What is the SMILES notation of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: SMILES notation of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is Cn1nc(C(F)(F)F)cc1B(O)O. |
| Q: What is the molecular formula of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: Molecular formula of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is C5H6BF3N2O2. |
| Q: What is the LogP of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: LogP of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is 0.51. |
| Q: What is the polar surface area (PSA) of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: Polar surface area (PSA) of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is 58.28000. |
| Q: What is the CAS number of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: CAS number of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is 344591-91-9. |
| Q: What are the storage conditions for 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: Storage conditions for 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid: 2-8°C. |
| Q: What is the molecular weight of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: Molecular weight of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is 193.919. |
| Q: What is the boiling point of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid? |
| A: Boiling point of 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid is 311.3±52.0 °C at 760 mmHg. |
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. |