Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate structure
|
Common Name | Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 112055-34-2 | Molecular Weight | 284.234 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 355.0±42.0 °C at 760 mmHg | |
| Molecular Formula | C13H11F3N2O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 168.5±27.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 355.0±42.0 °C at 760 mmHg |
| Molecular Formula | C13H11F3N2O2 |
| Molecular Weight | 284.234 |
| Flash Point | 168.5±27.9 °C |
| Exact Mass | 284.077271 |
| PSA | 44.12000 |
| LogP | 4.42 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.525 |
| InChIKey | ZJGRCTISRZQYRY-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F |
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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| 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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~78%
Ethyl 1-phenyl-... CAS#:112055-34-2 |
| Literature: Beck, James R.; Wright, Fred L. Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 739 - 740 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
CAS#:98534-81-7This 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.
| 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoromethyl)-, ethyl ester |
| MFCD00068138 |
| Ethyl 5-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylate |
| Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| ethyl 5-trifluoromethyl-1-phenyl-1H-pyrazole-4-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: InChIKey of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is ZJGRCTISRZQYRY-UHFFFAOYSA-N. |
| Q: What are the upstream materials of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate: 571-55-1;59-88-1. |
| Q: What is the molecular weight of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Molecular weight of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is 284.234. |
| Q: What is the safety information for ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Safety information for ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate: S26-S36. |
| Q: What is the LogP of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: LogP of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is 4.42. |
| Q: What is the polar surface area (PSA) of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Polar surface area (PSA) of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is 44.12000. |
| Q: What is the boiling point of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Boiling point of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is 355.0±42.0 °C at 760 mmHg. |
| Q: What are the downstream products of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Related downstream products(CAS) of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate: 98534-81-7. |
| Q: What is the molecular formula of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate? |
| A: Molecular formula of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate is C13H11F3N2O2. |
| Q: What English synonyms does ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate have? |
| A: English synonyms of ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate: 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoromethyl)-, ethyl ester, MFCD00068138, Ethyl 5-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylate, Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 5-trifluoromethyl-1-phenyl-1H-pyrazole-4-carboxylate. |
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. |