Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cyclohexanone,2-(phenylmethylene)- |
EINECS | 227-144-9 |
CAS No. | 5682-83-7 | Density | 1.09 g/cm3 |
PSA | 17.07000 | LogP | 3.21310 |
Solubility | N/A | Melting Point |
53-55 °C |
Formula | C13H14O | Boiling Point | 330.2 °C at 760 mmHg |
Molecular Weight | 186.254 | Flash Point | 136 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cyclohexanone,2-benzylidene- (6CI,7CI,8CI);2-Benzalcyclohexanone;2-Benzylidenecyclohexanone;NSC 145677; |
Article Data | 144 |
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: 17.07Å2; (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