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1H-Pyrazole-4-carbonitrile
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Name

1H-Pyrazole-4-carbonitrile

 EINECS N/A
CAS No. 31108-57-3 Density 1.28 g/cm3
PSA 52.47000 LogP 0.28138
Solubility N/A Melting Point N/A
Formula C4H3N3 Boiling Point 317.4 °C at 760 mmHg
Molecular Weight 93.0879 Flash Point 114 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 31108-57-3 (4-CYANOPYRAZOLE) Hazard Symbols Xn
Synonyms

4-Cyanopyrazole;Pyrazole-4-carbonitrile(7CI,8CI);

Article Data 5

1H-Pyrazole-4-carbonitrile Synthetic route

2075-45-8

4-bromo-1H-pyrazole

potassiumhexacyanoferrate(II) trihydrate

31108-57-3

1H-pyrazole-4-carbonitrile

Conditions
ConditionsYield
With C42H58NO3PPdS(2-); potassium acetate; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube;90%
149139-41-3

α-cyano-β-dimethylaminoacrolein

31108-57-3

1H-pyrazole-4-carbonitrile

Conditions
ConditionsYield
With hydrogenchloride; hydrazine In ethanol for 1h; Heating;55%
2075-45-8

4-bromo-1H-pyrazole

14904-70-2

[11C]hydrogen cyanide

31108-57-3

1H-pyrazole-4-carbonitrile

Conditions
ConditionsYield
Stage #1: 4-bromo-1H-pyrazole With XPhos In toluene at 20℃; for 0.5h;
Stage #2: [11C]hydrogen cyanide In tetrahydrofuran at 100℃; for 0.0166667h;

C24H41BrO

31108-57-3

1H-pyrazole-4-carbonitrile

C28H43N3O

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; Inert atmosphere;97.5%

(2R,5S)-tert-butyl 5-(4-chlorobenzyl)-2-(((methylsulfonyl)oxy)methyl)morpholine-4-carboxylate

31108-57-3

1H-pyrazole-4-carbonitrile

(2R,5S)-tert-butyl 5-(4-chlorobenzyl)-2-((4-cyano-1H-pyrazol-1-yl)methyl)morpholine-4-carboxylate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 100℃; Sealed tube;97%
110-87-2

3,4-dihydro-2H-pyran

31108-57-3

1H-pyrazole-4-carbonitrile

1448317-12-1

1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carbonitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In dichloromethane at 3 - 20℃;96%
75-22-9

trimethylamine-borane

31108-57-3

1H-pyrazole-4-carbonitrile

18601-58-6

{1-(4-cyano)pyrazolyl}borane

Conditions
ConditionsYield
95%
95%
97-94-9

triethyl borane

31108-57-3

1H-pyrazole-4-carbonitrile

14695-72-8

bis-[μ-(4-cyano-pyrazolato-N1:N2)]-tetraethyl-bis-boron

Conditions
ConditionsYield
93%
93%

C23H38O2

31108-57-3

1H-pyrazole-4-carbonitrile

A

1-((R)-2-hydroxy-2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-3-hydroxy-3,13,15-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile

B

1-((S)-2-hydroxy-2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-3-hydroxy-3,13,15-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 25 - 120℃; for 16h;A 43%
B 93%

methyl 3-(((methylsulfonyl)oxy)methyl)bicyclo[1.1.1]pentane-1-carboxylate

31108-57-3

1H-pyrazole-4-carbonitrile

methyl 3-((4-cyano-1H-pyrazol-1-yl)methyl)bicyclo[1.1.1]pentane-1-carboxylate

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 20℃;93%

1H-Pyrazole-4-carbonitrile Chemical Properties

IUPAC Name: 1H-pyrazole-4-carbonitrile
Systematic of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): Buttpark 87\09-37 ; Akos bbs-00005324 ;4-Cyanopyrazole ; 4-Pyrazolecarbonitrile ; 4-Cyanopyrazole 97% ; 4-Cyano-1H-pyrazole
CAS NO: 31108-57-3
Molecular Formula of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): C4H3N3
Molecular Weight: 93.0867
Molecular Structure:

H bond acceptors: 3
H bond donors: 1 
Polar Surface Area: 41.61 Å2
Index of Refraction: 1.551
Molar Refractivity: 23.04 cm3
Molar Volume: 72.1 cm3
Surface Tension: 71.5 dyne/cm
Density of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): 1.28 g/cm3
Flash Point: 114 °C
Enthalpy of Vaporization: 55.88 kJ/mol
Boiling Point: 317.4 °C at 760 mmHg
Vapour Pressure: 0.000385 mmHg at 25 °C

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