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CAS No.: | 155395-45-2 |
---|---|
Name: | 2-(2-FURYL)BENZONITRILE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H7NO |
Molecular Weight: | 169.183 |
Synonyms: | 2-(2-Furyl)benzonitrile; |
Density: | 1.18 g/cm3 |
Boiling Point: | 317.3 °C at 760 mmHg |
Flash Point: | 145.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 36.93000 |
LogP: | 2.81828 |
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The Benzonitrile,2-(2-furanyl)-, with the CAS registry number 155395-45-2, is also known as 2-(2-Furyl)benzonitrile. This chemical's molecular formula is C11H7NO and molecular weight is 169.18. Its systematic name is called 2-furan-2-ylbenzonitrile. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzonitrile,2-(2-furanyl)-: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.56; (5)ACD/BCF (pH 7.4): 37.56; (6)ACD/KOC (pH 5.5): 466.48; (7)ACD/KOC (pH 7.4): 466.48; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 48.5 cm3; (12)Molar Volume: 142.5 cm3; (13)Surface Tension: 50.6 dyne/cm; (14)Density: 1.18 g/cm3; (15)Flash Point: 145.7 °C; (16)Enthalpy of Vaporization: 55.87 kJ/mol; (17)Boiling Point: 317.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000388 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1c2occc2
(2)InChI: InChI=1/C11H7NO/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7H
(3)InChIKey: XLZNEBADSPRURH-UHFFFAOYAV