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25775-03-5

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Basic Information
CAS No.: 25775-03-5
Name: 2-(1H-PYRAZOL-1-YL)BENZONITRILE
Article Data: 21
Molecular Structure:
Molecular Structure of 25775-03-5 (2-(1H-PYRAZOL-1-YL)BENZONITRILE)
Formula: C10H7N3
Molecular Weight: 169.186
Synonyms: Benzonitrile,o-pyrazol-1-yl- (8CI);2-(1H-Pyrazol-1-yl)benzonitrile;
Density: 1.13 g/cm3
Boiling Point: 332.6 °C at 760 mmHg
Flash Point: 155 °C
Hazard Symbols: IrritantXi
PSA: 41.61000
LogP: 1.74398
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Specification

The Benzonitrile,2-(1H-pyrazol-1-yl), with the CAS registry number 25775-03-5, is also known as 2-(1H-Pyrazol-1-yl)benzonitrile. This chemical's molecular formula is C10H7N3 and molecular weight is 169.18. What's more, both its systematic name is 2-(1H-Pyrazol-1-yl)benzonitrile.

Physical properties about Benzonitrile,2-(1H-pyrazol-1-yl) are: (1)ACD/LogP: 1.55; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.61 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 52.45 cm3; (9)Molar Volume: 148.7 cm3; (10)Polarizability: 20.79×10-24cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.13 g/cm3; (13)Flash Point: 155 °C; (14)Enthalpy of Vaporization: 57.54 kJ/mol; (15)Boiling Point: 332.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000144 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccccc1n2nccc2
(2) InChI: InChI=1/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H
(3) InChIKey: FMURBLXVPMFBMG-UHFFFAOYAU