ART-CHEM-BB B018777
3-(Trifluoromethyl)pyrazole
CAS: 20154-03-4
Molecular Formula: C4H3F3N2
ART-CHEM-BB B018777 - Names and Identifiers
| Name | 3-(Trifluoromethyl)pyrazole |
| Synonyms | AKOS B018777 AKOS PAO-1199 TIMTEC-BB SBB000068 ART-CHEM-BB B018777 TRIFLUOROMETHYLPYRAZOLE 3-Trifluoromethylpyrazole 3-(TRIFLUOROMETHYL)PYRAZOLE 3-(Trifluoromethyl)pyrazole 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE 3-(Trifluoromethyl)-1H-pyrazole |
| CAS | 20154-03-4 |
| EINECS | 628-556-5 |
| InChI | InChI=1/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2 |
| InChIKey | PYXNITNKYBLBMW-UHFFFAOYSA-N |
ART-CHEM-BB B018777 - Physico-chemical Properties
| Molecular Formula | C4H3F3N2 |
| Molar Mass | 136.08 |
| Density | 1.3931 (estimate) |
| Melting Point | 45-47 °C (lit.) |
| Boling Point | 70 °C/2 mmHg (lit.) |
| Flash Point | 76.3°C |
| Vapor Presure | 0.291mmHg at 25°C |
| Appearance | White crystal |
| Color | White to Light yellow |
| BRN | 1564179 |
| pKa | 10.56±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.444 |
| MDL | MFCD00115018 |
| Physical and Chemical Properties | boiling point 70 °c (2 mmHg)
melting point 45-47 °c |
ART-CHEM-BB B018777 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29331990 |
| Hazard Class | IRRITANT |
ART-CHEM-BB B018777 - Reference Information
| Application | 3-(trifluoromethyl) pyrazole is an organic intermediate that can be used in laboratory research and development processes and chemical production processes. It can be used in 2,2,4-trichloro-1, 1, 1-trifluorobutyl n-butyl ether and hydrazine hydrate are cyclically prepared. |
| prepare | under the condition of 20 ℃, 7.2g(0.025mol)2,2,4-trichloro -1,1,1-trifluorobutyl n-butyl ether, 21.0g acetic acid (20mL) and 5g water (5mL) are put into a 50mL three-mouth flask, slowly add 7.0g 85% hydrazine hydrate solution (0.12mol) under stirring for 5 minutes, and then keep it at room temperature for 1 hour. Acetic acid was recovered by distillation, the remaining product was washed with water, dried, and then recrystallized with petroleum ether to obtain 3.0g 3-(trifluoromethyl)-1-H-pyrazole with a yield of 88%. |
Last Update：2024-04-09 15:16:48
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