4-(Trifluoromethyl)-1H-pyrazole
4-(Trifluoromethyl)-1H-pyrazole structure
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Common Name | 4-(Trifluoromethyl)-1H-pyrazole | ||
|---|---|---|---|---|
| CAS Number | 52222-73-8 | Molecular Weight | 136.08 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 177.7±35.0 °C at 760 mmHg | |
| Molecular Formula | C4H3F3N2 | Melting Point | 76 °C | |
| MSDS | Chinese USA | Flash Point | 61.3±25.9 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of 4-(Trifluoromethyl)-1H-pyrazole4-(Trifluoromethyl)-1H-pyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
Summary: 4-(Trifluoromethyl)-1H-pyrazole (Chinese name: 4-(三氟甲基)-1H-吡唑), CAS number 52222-73-8, with molecular formula C4H3F3N2 and molecular weight 136.08, is a white to green crystalline solid. Melting point: 76°C, boiling point: 177.7±35.0°C. 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 | 4-(Trifluoromethyl)-1H-pyrazole |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-(Trifluoromethyl)-1H-pyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | 用作医药中间体。钯催化的 5-tributylstannyl-4-fluoro-1H-pyrazole 与芳基碘化物的交叉偶联反应提供了相应的 5-aryl-4-fluoro-1H-pyrazoles 的高产率。 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 177.7±35.0 °C at 760 mmHg |
| Melting Point | 76 °C |
| Molecular Formula | C4H3F3N2 |
| Molecular Weight | 136.08 |
| Flash Point | 61.3±25.9 °C |
| Exact Mass | 136.024826 |
| PSA | 28.68000 |
| LogP | 1.29 |
| Vapour Pressure | 1.4±0.3 mmHg at 25°C |
| Index of Refraction | 1.417 |
| InChIKey | KDEJQUNODYXYBJ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cn[nH]c1 |
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 |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H335 |
| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
| RIDADR | UN 2811 6.1 / PGIII |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~29%
4-(Trifluoromet... CAS#:52222-73-8 |
| Literature: Piotrowski, David W.; Rogers, Bruce N.; McWhorter JR., William W.; Walker, Daniel Patrick; Corbett, Jeffrey W.; Groppi JR., Vincent E.; Rudmann, Daniel G. Patent: US2003/236287 A1, 2003 ; Location in patent: Page 37 ; US 20030236287 A1 |
|
~%
4-(Trifluoromet... CAS#:52222-73-8 |
| Literature: Yamanaka, Hiroki; Takekawa, Tadashi; Morita, Kenji; Ishihara, Takashi; Gupton, John T. Tetrahedron Letters, 1996 , vol. 37, # 11 p. 1829 - 1832 |
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.
| 4-Trifluoromethyl-1H-pyrazole |
| 4-(Trifluoromethyl)pyrazole |
| 3-(trifluoromethyl)-1H-pyrazole |
| 1H-Pyrazole,4-(trifluoromethyl) |
| 4-(Trifluoromethyl)-1H-pyrazole |
| 4-Trifluoromethylpyrazole |
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 4-(Trifluoromethyl)-1H-pyrazole? |
| A: SMILES notation of 4-(Trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cn[nH]c1. |
| Q: What is the boiling point of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: Boiling point of 4-(Trifluoromethyl)-1H-pyrazole is 177.7±35.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: Molecular formula of 4-(Trifluoromethyl)-1H-pyrazole is C4H3F3N2. |
| Q: What is the polar surface area (PSA) of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: Polar surface area (PSA) of 4-(Trifluoromethyl)-1H-pyrazole is 28.68000. |
| Q: What are the uses of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: Main uses of 4-(Trifluoromethyl)-1H-pyrazole: 4-(Trifluoromethyl)-1H-pyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Q: What is the English name of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: The English name of 4-(Trifluoromethyl)-1H-pyrazole is 4-(Trifluoromethyl)-1H-pyrazole. |
| Q: What English synonyms does 4-(Trifluoromethyl)-1H-pyrazole have? |
| A: English synonyms of 4-(Trifluoromethyl)-1H-pyrazole: 4-Trifluoromethyl-1H-pyrazole, 4-(Trifluoromethyl)pyrazole, 3-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole,4-(trifluoromethyl), 4-(Trifluoromethyl)-1H-pyrazole, 4-Trifluoromethylpyrazole. |
| Q: What is the molecular weight of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: Molecular weight of 4-(Trifluoromethyl)-1H-pyrazole is 136.08. |
| Q: What is the CAS number of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: CAS number of 4-(Trifluoromethyl)-1H-pyrazole is 52222-73-8. |
| Q: What is the InChIKey of 4-(Trifluoromethyl)-1H-pyrazole? |
| A: InChIKey of 4-(Trifluoromethyl)-1H-pyrazole is KDEJQUNODYXYBJ-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. |