1-Phenylcyclobutanecarbonitrile

The CAS register number of 1-Phenylcyclobutanecarbonitrile is 14377-68-5. It also can be called as Cyclobutanecarbonitrile,1-phenyl- and the IUPAC name about this chemical is 1-phenylcyclobutane-1-carbonitrile. It belongs to the following product categories, such as Phenyls & Phenyl-Het, Phenyls & Phenyl-Het and so on.

Physical properties about 1-Phenylcyclobutanecarbonitrile are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.25; (5)ACD/BCF (pH 7.4): 23.25; (6)ACD/KOC (pH 5.5): 330.86; (7)ACD/KOC (pH 7.4): 330.86; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 47.81 cm³; (13)Molar Volume: 147.7 cm³; (14)Polarizability: 18.95x10^-24cm³; (15)Surface Tension: 43.8 dyne/cm; (16)Enthalpy of Vaporization: 53.03 kJ/mol; (17)Boiling Point: 290.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00201 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-hydroxy-2-oxo-2,3-dihydro-1H-benzo[b]azepine-4-carboxylic acid ethyl ester. This reaction will need solvent dimethylsulfoxide, H₂O. The reaction time is 1 hour(s) with reaction temperature of 150 ℃. The yield is about 85%.

Uses of1-Phenylcyclobutanecarbonitrile: it can be used to produce 4-dimethylaminomethylene-3,4-dihydro-1H-benzo[b]azepine-2,5-dione with dimethoxymethyl-dimethyl-amine at temperature of 115 - 120 ℃. This reaction time is 1 hours. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC2(c1ccccc1)CCC2
(2)InChI: InChI=1/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
(3)InChIKey: DHIDUDPFTZJPCQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
(5)Std. InChIKey: DHIDUDPFTZJPCQ-UHFFFAOYSA-N