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25699-85-8

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Basic Information
CAS No.: 25699-85-8
Name: 3-(1H-IMIDAZOL-1-YL)BENZONITRILE
Article Data: 16
Molecular Structure:
Molecular Structure of 25699-85-8 (3-(1H-IMIDAZOL-1-YL)BENZONITRILE)
Formula: C10H7N3
Molecular Weight: 169.186
Synonyms: 1-(3-Cyanophenyl)-1H-imidazole;3-(1H-Imidazol-1-yl)benzonitrile;Benzonitrile,m-imidazol-1-yl- (8CI);
Density: 1.13 g/cm3
Melting Point: 100 °C
Boiling Point: 350.8 °C at 760mmHg
Flash Point: 166 °C
PSA: 41.61000
LogP: 1.74398
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Specification

The Benzonitrile,3-(1H-imidazol-1-yl)-, with the CAS registry number 25699-85-8, is also known as 3-Imidazol-1-yl-benzonitrile. This chemical's molecular formula is C10H7N3 and molecular weight is 169.18. What's more, its systematic name is called 3-(1H-Imidazol-1-yl)benzonitrile.

Physical properties about Benzonitrile,3-(1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.42; (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: 20.79×10-24 cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.13 g/cm3; (13)Flash Point: 166 °C; (14)Enthalpy of Vaporization: 59.55 kJ/mo; (15)Boiling Point: 350.8 °C at 760 mmHg; (16)Vapour Pressure: 4.28E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cccc(c1)n2ccnc2
(2) InChI: InChI=1/C10H7N3/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13/h1-6,8H
(3) InChIKey: WTSYEEOMLMUPSN-UHFFFAOYAP