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4-Fluoropyrazole
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Name

4-Fluoropyrazole

 EINECS N/A
CAS No. 35277-02-2 Density 1.32 g/cm3
PSA 28.68000 LogP 0.54880
Solubility N/A Melting Point N/A
Formula C3H3FN2 Boiling Point 192.7 °C at 760 mmHg
Molecular Weight 86.0686 Flash Point 70.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35277-02-2 (4-Fluoro-1H-pyrazole) Hazard Symbols N/A
Synonyms

4-Fluoro-1H-pyrazole;1H-pyrazole, 4-fluoro-;

Article Data 14

4-Fluoropyrazole Synthetic route

38346-22-4

fluoro(trimethylsilyl)acetylene

35277-02-2

4-fluoro-1H-pyrazole

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrazine hydrochloride 1.) 65-70 deg C, 1 h, MeCN; 2.) 50-60 deg C, MeCN,; Yield given. Multistep reaction;
186581-53-3, 908094-01-9

diazomethane

75-38-7

Vinylidene fluoride

35277-02-2

4-fluoro-1H-pyrazole

Conditions
ConditionsYield
Multistep reaction;
761-88-6

β-(Dimethylamino)-α-fluoropropenal

35277-02-2

4-fluoro-1H-pyrazole

Conditions
ConditionsYield
With hydrazine dihydrochloride In ethanol; water at 55℃; for 0.333333h;366 mg

tert-butyl 4-((7-(3-bromophenyl)-6-chloro-4-oxo-4, 7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl)-4-hydroxypiperidine-1-carboxylate

35277-02-2

4-fluoro-1H-pyrazole

tert-butyl 4-((6-chloro-7-(3-(4-fluoro-1H-pyrazol-1-yl)phenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl)-4-hydroxypiperidine-1-carboxylate

Conditions
ConditionsYield
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

1-(6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethane-1-one

Conditions
ConditionsYield
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%

4-Fluoropyrazole 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

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