ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate structure
|
Common Name | ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 175137-35-6 | Molecular Weight | 329.23100 | |
| Density | 1.64g/cm3 | Boiling Point | 421.8ºC at 760 mmHg | |
| Molecular Formula | C13H10F3N3O4 | Melting Point | 106-110 °C | |
| MSDS | Chinese USA | Flash Point | 208.9ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-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 | 1.64g/cm3 |
|---|---|
| Boiling Point | 421.8ºC at 760 mmHg |
| Melting Point | 106-110 °C |
| Molecular Formula | C13H10F3N3O4 |
| Molecular Weight | 329.23100 |
| Flash Point | 208.9ºC |
| Exact Mass | 329.06200 |
| PSA | 89.94000 |
| LogP | 3.49920 |
| Vapour Pressure | 2.53E-07mmHg at 25°C |
| Index of Refraction | 1.599 |
| InChIKey | QNUASRIZVSLLGS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)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 | H302-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn,Xi |
| Risk Phrases | R22:Harmful if swallowed. R36:Irritating to the eyes. |
| Safety Phrases | S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~88%
ethyl 2-(4-nitr... CAS#:175137-35-6 |
| Literature: Obermayer, David; Glasnov, Toma N.; Kappe, C. Oliver Journal of Organic Chemistry, 2011 , vol. 76, # 16 p. 6657 - 6669 |
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 | 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.
| ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate |
| ETHYL 2-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE |
| MFCD00173868 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate have? |
| A: English synonyms of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate, ETHYL 2-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE, MFCD00173868. |
| Q: What is the LogP of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: LogP of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 3.49920. |
| Q: What is the boiling point of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Boiling point of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 421.8ºC at 760 mmHg. |
| Q: What is the melting point of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Melting point of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 106-110 °C. |
| Q: What is the CAS number of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: CAS number of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 175137-35-6. |
| Q: What is the polar surface area (PSA) of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Polar surface area (PSA) of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 89.94000. |
| Q: What is the molecular formula of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Molecular formula of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is C13H10F3N3O4. |
| Q: What is the safety information for Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Safety information for Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: S26. |
| Q: What are the upstream materials of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: Related upstream materials(CAS) of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: 571-55-1;636-99-7. |
| Q: What is the SMILES notation of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate? |
| A: SMILES notation of Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F. |
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. |