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| CAS No.: | 19933-24-5 |
|---|---|
| Name: | 3-(2-THIENYL)PYRAZOLE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H6N2S |
| Molecular Weight: | 150.204 |
| Synonyms: | 3-(2-Thienyl)pyrazole; |
| Density: | 1.297 g/cm3 |
| Melting Point: | 97-99 °C |
| Boiling Point: | 344 °C at 760 mmHg |
| Flash Point: | 167.8 °C |
| Appearance: | light green fine fluffy powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-24/25 |
| PSA: | 56.92000 |
| LogP: | 2.13820 |
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Specification
The 1H-Pyrazole,3-(2-thienyl)-, with the CAS registry number 19933-24-5, is also known as 3-(2-Thienyl)pyrazole. This chemical's molecular formula is C7H6N2S and molecular weight is 150.2. What's more, its systematic name is called 5-(Thiophen-2-yl)-1H-pyrazole. It is light green fine fluffy powder and it should be kept in a cold, airtight and dry place.
Physical properties about 1H-Pyrazole,3-(2-thienyl)- are: (1) ACD/LogP: 1.88; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.88; (4) ACD/LogD (pH 7.4): 1.88; (5) ACD/BCF (pH 5.5): 15.78; (6) ACD/BCF (pH 7.4): 15.79; (7) ACD/KOC (pH 5.5): 250.73; (8) ACD/KOC (pH 7.4): 250.82; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 46.06 Å2; (13) Index of Refraction: 1.641; (14) Molar Refractivity: 41.75 cm3; (15) Molar Volume: 115.7 cm3; (16) Surface Tension: 56.6 dyne/cm; (17) Density: 1.297 g/cm3; (18) Flash Point: 167.8 °C; (19) Enthalpy of Vaporization: 56.46 kJ/mol; (20) Boiling Point: 344 °C at 760 mmHg; (21) Vapour Pressure: 0.000135 mmHg at 25 °C; (22) Melting Point: 97-99 °C.
Preparation of 1H-Pyrazole,3-(2-thienyl)-: this chemical can be prepared by 1-Vinyl-1H-imidazole with Thiophene-2-carbaldehyde. This reaction needs reagent p-Toluenesulfonyl hydrazide, NaOH and solvent Acetonitrile at temperature of 20 °C. The reaction time is 3 hours. The yield is 32 %.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective gloves and eye/face protection. You could avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(n1)c2sccc2
(2) InChI: InChI=1/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
(3) InChIKey: TVNDPZYOQCCHTJ-UHFFFAOYAK