Benzonitrile,3-(2-furanyl)- supplier

Name
3-(2-FURYL)BENZONITRILE
EINECS
CAS No. 112598-77-3
Article Data5
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₁H₇NO
Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 169.183
Flash Point 132.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Furan-2-ylbenzonitrile;
PSA 36.93000
LogP 2.81828

Benzonitrile,3-(2-furanyl)- Specification

The Benzonitrile,3-(2-furanyl)- is an organic compound with the formula C₁₁H₇NO. The systematic name of this chemical is 3-Furan-2-ylbenzonitrile. With the CAS registry number 112598-77-3, it is also named as 3-(2-Furyl)benzonitrile. Besides, its molecular weight is 169.18.

Physical properties about Benzonitrile,3-(2-furanyl)- are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.24; (4)ACD/BCF (pH 5.5): 171.77; (5)ACD/BCF (pH 7.4): 171.77; (6)ACD/KOC (pH 5.5): 1384.81; (7)ACD/KOC (pH 7.4): 1384.81; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 36.93 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 48.5 cm³; (13)Molar Volume: 142.5 cm³; (14)Polarizability: 19.23×10^-24 cm³; (15)Surface Tension: 50.6 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 132.3 °C; (18)Enthalpy of Vaporization: 53.49 kJ/mol; (19)Boiling Point: 295.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1)c2occc2
(2)InChI: InChI=1/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
(3)InChIKey: BUZQKXZXWYCNJK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
(5)Std. InChIKey: BUZQKXZXWYCNJK-UHFFFAOYSA-N

Product Name

3-(2-FURYL)BENZONITRILE

Benzonitrile,3-(2-furanyl)- Specification

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