4-(4'-FLUOROPHENOXY)BENZALDEHYDE

The Benzaldehyde,4-(4-fluorophenoxy)-, with CAS registry number 137736-06-2, belongs to the following product categories: (1)Aldehydes; (2)C10 to C21; (3)Carbonyl Compounds. It has the systematic name of 4-(4-fluorophenoxy)benzaldehyde. And the chemical formula of this chemical is C₁₃H₉FO₂.

Physical properties of Benzaldehyde,4-(4-fluorophenoxy)-: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 59.44 cm³; (9)Molar Volume: 175.8 cm³; (10)Polarizability: 23.56×10^-24cm³; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.229 g/cm³; (13)Flash Point: 141.1 °C; (14)Enthalpy of Vaporization: 55.9 kJ/mol; (15)Boiling Point: 317.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000381 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde,4-(4-fluorophenoxy)- is harmful if swallowed. And it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(Oc1ccc(F)cc1)cc2
(2)InChI: InChI=1/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
(3)InChIKey: YUPBWHURNLRZQL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
(5)Std. InChIKey: YUPBWHURNLRZQL-UHFFFAOYSA-N