2-Furancarboxaldehyde,5-(4-chlorophenyl)- (34035-03-5)

The 5-(4-Chlorophenyl)furfural with the CAS number 34035-03-5 is also called 2-Furancarboxaldehyde,5-(4-chlorophenyl)-. Both the systematic name and IUPAC name are 5-(4-chlorophenyl)furan-2-carbaldehyde. Its molecular formula is C₁₁H₇ClO₂. The product category is API intermediates. This chemical is pale brown needles.

The properties of the 5-(4-Chlorophenyl)furfural are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.21 Å²; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 54.79 cm³; (9)Molar Volume: 161.1 cm³; (10)Polarizability: 21.72×10^-24cm³; (11)Surface Tension: 44.2 dyne/cm; (12)Enthalpy of Vaporization: 59.53 kJ/mol; (13)Vapour Pressure: 4.32×10^-5 mmHg at 25°C.

Uses: This chemical can react with 2,2-dimethyl-[1,3]dioxane-4,6-dione to prepare 5-[5-(4-chloro-phenyl)-furan-2-ylmethylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione. This reaction needs reagent acetic acid, piperidine and solvent CHCl₃ at heating condition. The reaction time is 2.0 hours. The yield is 32%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2oc(c1ccc(Cl)cc1)cc2
(2)InChI: InChI=1/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
(3)InChIKey: ROJGJNINTRCMBL-UHFFFAOYAE