Benzonitrile,3-(1H-imidazol-1-yl)- supplier

Name
3-(1H-IMIDAZOL-1-YL)BENZONITRILE
EINECS
CAS No. 25699-85-8
Article Data16
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point 100 °C
Formula C₁₀H₇N₃
Boiling Point 350.8 °C at 760mmHg
Molecular Weight 169.186
Flash Point 166 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Cyanophenyl)-1H-imidazole;3-(1H-Imidazol-1-yl)benzonitrile;Benzonitrile,m-imidazol-1-yl- (8CI);
PSA 41.61000
LogP 1.74398

Benzonitrile,3-(1H-imidazol-1-yl)- 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 c^m3; (10)Polarizability: 20.79×10^-24cm³; (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

Product Name

3-(1H-IMIDAZOL-1-YL)BENZONITRILE

Benzonitrile,3-(1H-imidazol-1-yl)- Specification

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