2-BENZYLIDENECYCLOHEXANONE

The CAS register number of Cyclohexanone,2-(phenylmethylene)- is 5682-83-7. It also can be called as E-2-Benzylidenecyclohexanone and the IUPAC name about this chemical is (2Z)-2-benzylidenecyclohexan-1-one. The molecular formula about this chemical is C₁₃H₁₄O and the molecular weight is 186.25.

Physical properties about Cyclohexanone,2-(phenylmethylene)- are: (1)ACD/LogP: 3.12; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 17.07Ų; (5)Index of Refraction: 1.6; (6)Molar Refractivity: 58.44 cm³; (7)Molar Volume: 170.7 cm³; (8)Polarizability: 23.16x10^-24cm³; (9)Surface Tension: 45.5 dyne/cm; (10)Flash Point: 136 °C; (11)Enthalpy of Vaporization: 57.27 kJ/mol; (12)Boiling Point: 330.2 °C at 760 mmHg; (13)Vapour Pressure: 0.000169 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-cyclohex-1-enyl-morpholine and benzaldehyde. The yield is about 52%.

Uses of Cyclohexanone,2-(phenylmethylene)-: it can be used to produce 6-chloro-2-benzylidenecyclohexanone at heating. This reaction will need reagent NCS and solvent CCl₄. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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: O=C2\C(=C\c1ccccc1)CCCC2
(2)InChI: InChI=1/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+
(3)InChIKey: VCDPHYIZVFJQCD-ZRDIBKRKBE
(4)Std. InChI: InChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+
(5)Std. InChIKey: VCDPHYIZVFJQCD-ZRDIBKRKSA-N