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956568-52-8

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Basic Information
CAS No.: 956568-52-8
Name: 6-(1H-PYRAZOL-1-YL)NICOTINONITRILE
Molecular Structure:
Molecular Structure of 956568-52-8 (6-(1H-PYRAZOL-1-YL)NICOTINONITRILE)
Formula: C9H6 N4
Molecular Weight: 170.17
Synonyms: 6-(1H-Pyrazol-1-yl)-3-pyridinecarbonitrile
Density: 1.23
Boiling Point: 336.437°C at 760 mmHg
Flash Point: 157.272°C
Risk Codes: 20/21/22
Safety: 3/9-36/37
PSA: 54.50000
LogP: 1.13898
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Chemistry

Molecule structure of 6-(1H-Pyrazol-1-yl)nicotinonitrile (CAS NO.956568-52-8):

Molecular Formula: C9H6N4
Molecular Weight: 170.17 g/mol
CAS Registry Number: 956568-52-8 
Index of Refraction: 1.663
Molar Refractivity: 50.901 cm3
Molar Volume: 137.388 cm3
Surface Tension: 54.357 dyne/cm
Density: 1.239 g/cm3
Flash Point: 157.272 °C
Enthalpy of Vaporization: 57.959 kJ/mol
Boiling Point: 336.437 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C 
SMILES: N#Cc1cnc(cc1)n2cccn2 
InChI: InChI=1/C9H6N4/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H 
InChIKey: JIVJRKSMKHGTLT-UHFFFAOYAV
Std. InChI: InChI=1S/C9H6N4/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H
Std. InChIKey of 6-(1H-Pyrazol-1-yl)nicotinonitrile (CAS NO.956568-52-8): JIVJRKSMKHGTLT-UHFFFAOYSA-N

Specification

 6-(1H-Pyrazol-1-yl)nicotinonitrile (CAS NO.956568-52-8) is also named as 6-(1H-Pyrazol-1-yl)-3-pyridinecarbonitrile ; 6-(1H-pyrazol-1-yl)pyridine-3-carbonitrile .