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Cas Database

Name	3-Cyanopyrazole	EINECS	N/A
CAS No.	36650-74-5	Density	1.29 g/cm³
PSA	52.47000	LogP	0.28138
Solubility	N/A	Melting Point	N/A
Formula	C₄H₃N₃	Boiling Point	317.427 °C at 760 mmHg
Molecular Weight	93.0879	Flash Point	114.009 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	5-Cyanopyrazole;Pyrazole-3-carbonitrile;	Article Data	7

3-Cyanopyrazole Synthetic route

: 33064-36-7
1H-pyrazole-3-carboxamide

: 36650-74-5
pyrazolecarbonitrile

Conditions

Conditions	Yield
at 335℃; for 1h; Temperature;	85%
With sodium chloride; trichlorophosphate In acetonitrile at 80℃;

: 3-bromo-3-cyano-4,5-dihydropyrazole

: 36650-74-5
pyrazolecarbonitrile

Conditions

Conditions	Yield
at 20℃; for 1h; Elimination;	65%

: 87879-93-4
4-diazo-1,1,1,2,2-pentafluoro-3-pentafluoroethyl-3-trifluoromethylbutane

: 107-13-1
acrylonitrile

: 36650-74-5
pyrazolecarbonitrile

Conditions

Conditions	Yield
for 240h;	47%

: 186581-53-3, 908094-01-9
diazomethane

: 205251-17-8
(Z)-3-[(R)-p-tolylsulfinyl]propenonitrile

: 36650-74-5
pyrazolecarbonitrile

Conditions

Conditions	Yield
In diethyl ether at -10℃;

: 30192-58-6
1H-pyrazole-3-carbxaldehyde oxime

: 36650-74-5
pyrazolecarbonitrile

Conditions

Conditions	Yield
With acetic anhydride at 100℃; for 5h;

: tert-butyl N-(3,4-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-ethylcarbamate

: 36650-74-5
pyrazolecarbonitrile

: tert-butyl N-[3-chloro-4-(3-cyanopyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-8-yl]-N-ethyl-carbamate

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 120℃; for 12h;	87.6%

: 64-17-5
ethanol

: 36650-74-5
pyrazolecarbonitrile

: ethyl 1H-pyrazole-3-carboximidoate hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In chloroform for 3.83333h; Cooling with acetone-dry ice;	81%
With hydrogenchloride In chloroform for 3h; Cooling with acetone-dry ice;

: 36650-74-5
pyrazolecarbonitrile

: 1-nitro-1H-pyrazole-3-carbonitrile

Conditions

Conditions	Yield
With nitric acid; acetic anhydride; trifluoroacetic acid at 5 - 10℃; for 2h;	80%

: 36650-74-5
pyrazolecarbonitrile

: 5-(1H-pyrazol-3-yl)tetrazole

Conditions

Conditions	Yield
With sodium azide; triethylamine hydrochloride In toluene at 110℃; for 10h;	79%
With sodium azide; zinc dibromide In N,N-dimethyl-formamide at 175℃; for 0.333333h; microwave irradiation;

: 36650-74-5
pyrazolecarbonitrile

: 85118-01-0
alpha-bromo-3,4-difluorotoluene

A: 1-(3,4-difluorobenzyl)-1H-pyrazole-3-carbonitrile

B: C11H7F2N3

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	A 75% B n/a

3-Cyanopyrazole Specification

The 1H-Pyrazole-3-carbonitrile is an organic compound with the formula C₄H₃N₃. The IUPAC name of this chemical is 1H-pyrazole-5-carbonitrile. With the CAS registry number 36650-74-5, it is also named as pyrazole-3-carbonitrile.

Physical properties about 1H-Pyrazole-3-carbonitrile are: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18; (5)ACD/KOC (pH 7.4): 17; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 52.47 Å²; (9)Index of Refraction: 1.551; (10)Molar Refractivity: 23.044 cm³; (11)Molar Volume: 72.179 cm³; (12)Polarizability: 9.135×10^-24cm³; (13)Surface Tension: 71.563 dyne/cm; (14)Density: 1.29 g/cm³; (15)Flash Point: 114.009 °C; (16)Enthalpy of Vaporization: 55.884 kJ/mol; (17)Boiling Point: 317.427 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccnn1
(2)InChI: InChI=1/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
(3)InChIKey: YMJLEPMVGQBLHL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
(5)Std. InChIKey: YMJLEPMVGQBLHL-UHFFFAOYSA-N

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