CAS Number52222-73-8
Synonyms4-Trifluoromethyl-1H-pyrazole; 4-(Trifluoromethyl)pyrazole; 3-(trifluoromethyl)-1H-pyrazole; 1H-Pyrazole,4-(trifluoromethyl); 4-(Trifluoromethyl)-1H-pyrazole; 4-Trifluoromethylpyrazole
Molecular FormulaC4H3F3N2
Molecular Weight261.97
Purity96+%
Density1.4±0.1 g/cm3
Boiling Point177.7±35.0 °C at 760 mmHg
Melting Point76 °C
Appearancesolid
EINECS0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 52222-73-8 |
| Catalog No. | 2A-1136288 |
| Chinese Name | 4-(三氟甲基)-1H-吡唑 |
| Synonyms | 4-Trifluoromethyl-1H-pyrazole; 4-(Trifluoromethyl)pyrazole; 3-(trifluoromethyl)-1H-pyrazole; 1H-Pyrazole,4-(trifluoromethyl); 4-(Trifluoromethyl)-1H-pyrazole; 4-Trifluoromethylpyrazole |
| Molecular Formula | C4H3F3N2 |
| Molecular Weight | 261.97 |
| Purity | 96+ |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 177.7±35.0 °C at 760 mmHg |
| Melting Point | 76 °C |
| Appearance | solid |
| Storage Condition | Store under inert gas; avoid air |
| Application | 4-(Trifluoromethyl)-1H-pyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. |
| EINECS | 0 |
| HTC | 2933199090 |
| UN(IATA) | 0 |
| PubChem ID | 329774537 |
| MDL Number | MFCD08064883 |
| SMILES | IC1=CNN=C1C(F)(F)F |
| InChI | 1S/C4H2F3IN2/c5-4(6,7)3-2(8)1-9-10-3/h1H,(H,9,10) |
| InChI Key | XRUHSOXIZMYOHX-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/136288_1_52222_73_8.pdf |
| Bioactivity | 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 Research Areas >> Others In Vitro Used as pharmaceutical intermediates. Palladium-catalyzed cross-coupling reaction of 5-tributylstannyl-4-fluoro-1H-pyrazole with aryl iodides provided high yields of the corresponding 5-aryl-4-fluoro-1H-pyrazoles. Chemical & Physical Properties 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 Vapor 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 |
| Use of | 4-(Trifluoromethyl)-1H-pyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Properties Name 4-(Trifluoromethyl)-1H-pyrazole Synonym More Synonyms 4-(Trifluoromethyl)-1H-pyrazole Biological Activity 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 Research Areas >> Others In Vitro Used as pharmaceutical intermediates. Palladium-catalyzed cross-coupling reaction of 5-tributylstannyl-4-fluoro-1H-pyrazole with aryl iodides provided high yields of the corresponding 5-aryl-4-fluoro-1H-pyrazoles. Chemical & Physical Properties Molecular Formula C4H3F3N2 Exact Mass 136.024826 PSA 28.68000 Index of Refraction 1.417 InChIKey KDEJQUNODYXYBJ-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (4-(Trifluoromethyl)-1H-pyrazole) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (4-(Trifluoromethyl)-1H-pyrazole) International air transport hazard regulations: Toxic solid, organic, n.o.s. (4-(Trifluoromethyl)-1H-pyrazole) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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