5-(4-METHYLPHENYL)-2-FUROIC ACID

The 2-Furancarboxylic acid,5-(4-methylphenyl)-, with the CAS registry number 52938-98-4, is also known as 5-(4-Methylphenyl)2-furoic acid and 5-p-Tolyl-furan-2-carboxylic acid. It belongs to the product categories of Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C₁₂H₁₀O₃ and molecular weight is 202.206. What's more, its systematic name is called 5-(4-Methylphenyl)furan-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.44; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.44Ų; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 54.89 cm³; (14)Molar Volume: 166.3 cm³; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.215 g/cm³; (17)Flash Point: 180.4 °C; (18)Enthalpy of Vaporization: 65.62 kJ/mol; (19)Boiling Point: 374.6 °C at 760 mmHg; (20)Vapour Pressure: 2.81E-06 mmHg at 25 °C; (21)Melting Point: 179-181 °C.

Preparation of 2-Furancarboxylic acid,5-(4-methylphenyl)-: this chemical can be prepared by 5-p-Tolyl-furan-2-carbaldehyde.

This reaction needs reagents AgNO₃, NaOH. The yield is 20%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And 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=C(O)c2oc(c1ccc(cc1)C)cc2
(2) InChI: InChI=1/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
(3) InChIKey: YZDIEQFFXQUBRM-UHFFFAOYAW