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CAS No.: | 25775-03-5 |
---|---|
Name: | 2-(1H-PYRAZOL-1-YL)BENZONITRILE |
Article Data: | 21 |
Molecular Structure: | |
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: | Xi |
PSA: | 41.61000 |
LogP: | 1.74398 |
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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