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| CAS No.: | 35277-02-2 |
|---|---|
| Name: | 4-Fluoro-1H-pyrazole |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C3H3FN2 |
| Molecular Weight: | 86.0686 |
| Synonyms: | 4-Fluoro-1H-pyrazole;1H-pyrazole, 4-fluoro-; |
| Density: | 1.32 g/cm3 |
| Boiling Point: | 192.7 °C at 760 mmHg |
| Flash Point: | 70.3 °C |
| PSA: | 28.68000 |
| LogP: | 0.54880 |
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- 852475-26-4MC1568
- 38346-22-4
fluoro(trimethylsilyl)acetylene
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride; acetic acid In tetrahydrofuran at 50℃; | 84% |
- 761-88-6
(Z)-3-(dimethylamino)-2-fluoroacrylaldehyde
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With hydrazine dihydrochloride In ethanol; water at 55℃; for 0.5h; | 77% |
| With hydrazine dihydrochloride In ethanol; water at 55℃; for 0.5h; | 77% |
- 853180-40-2
4-fluoro-5-(tributylstannyl)-1H-pyrazole
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| Stage #1: 4-fluoro-5-(tributylstannyl)-1H-pyrazole With n-butyllithium In tetrahydrofuran at -78℃; Stage #2: With oxonium In tetrahydrofuran Further stages.; | 68% |
- 139680-79-8
β-(Diethylamino)-α-fluoropropenal
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| Stage #1: β-(Diethylamino)-α-fluoropropenal With hydrazine dihydrochloride In ethanol; water at 78℃; for 4h; Stage #2: With sodium hydrogencarbonate In ethanol; water at 20℃; pH=7; | 61% |
- 64-17-5
ethanol
- 40623-35-6, 40623-36-7, 120201-74-3
7-chloro-7-fluoro-2,5-dioxabicyclo<4.1.0>heptane
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With hydrazine dihydrochloride; sulfuric acid; water 1.) reflux, 7 d, 2.) EtOH, reflux, 2 h; Yield given. Multistep reaction; |
- 128229-03-8
(2,3,3-Trifluoro-1-propenyl)trimethylammonium Iodide
- 109-89-7
diethylamine
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With hydrazine hydrochloride 1.) 65-70 deg C, 1 h, MeCN; 2.) 50-60 deg C, MeCN,; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 761-88-6
β-(Dimethylamino)-α-fluoropropenal
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With hydrazine dihydrochloride In ethanol; water at 55℃; for 0.333333h; | 366 mg |
- 35277-02-2
4-fluoro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 110℃; for 4h; Sealed tube; Inert atmosphere; | 99% |
- 35277-02-2
4-fluoro-1H-pyrazole
- 139042-59-4
1-(6-bromopyridin-3-yl)ethanone
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 20h; | 96% |
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 20h; Sealed tube; | 96% |
| Stage #1: 4-fluoro-1H-pyrazole With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 1-(6-bromopyridin-3-yl)ethanone In N,N-dimethyl-formamide at 100℃; for 20h; Sealed tube; | 96% |
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Specification
The 4-Fluoropyrazole, with the CAS registry number 35277-02-2, is also known as 1H-pyrazole, 4-fluoro-. This chemical's molecular formula is C3H3FN2 and molecular weight is 86.07. What's more, its systematic name is 4-fluoro-1H-pyrazole.
Physical properties of 4-Fluoropyrazole are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/BCF (pH 5.5): 1.12; (5)ACD/KOC (pH 5.5): 37.81; (6)ACD/KOC (pH 7.4): 37.82; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 18.77 cm3; (13)Molar Volume: 65.1 cm3; (14)Surface Tension: 44.2 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 70.3 °C; (17)Enthalpy of Vaporization: 41.13 kJ/mol; (18)Boiling Point: 192.7 °C at 760 mmHg; (19)Vapour Pressure: 0.673 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NN1)F
(2)InChI: InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
(3)InChIKey: RYXJXPHWRBWEEB-UHFFFAOYSA-N