4,4'-Biphenyldicarboxaldehyde

The IUPAC name of (1,1'-Biphenyl)-4,4'-dicarboxaldehyde is 4-(4-formylphenyl)benzaldehyde. With the CAS registry number 66-98-8, it is also named as 4,4'-Biphenyldicarboxaldehyde. The product's categories are pharmaceutical intermediates, biphenyl derivatives, biphenyls (for high-performance polymer research), functional materials and reagent for high-performance polymer research. Furthermore, it is yellow crystalline powder which shouls be stored in the refrigerator.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 368.19; (6)ACD/BCF (pH 7.4): 368.19; (7)ACD/KOC (pH 5.5): 2390; (8)ACD/KOC (pH 7.4): 2390; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 64.35 cm³; (14)Molar Volume: 178 cm³; (15)Polarizability: 25.51×10^-24 cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 64.13 kJ/mol; (18)Vapour Pressure: 2.42E-06 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 210.06808; (21)MonoIsotopic Mass: 210.06808; (22)Topological Polar Surface Area: 34.1; (23)Heavy Atom Count: 16.

Preparation of (1,1'-Biphenyl)-4,4'-dicarboxaldehyde: It can be obtained by N,N-dimethyl-formamide and 4,4'-dibromo-biphenyl with the reagent nBuLi.
 

Uses of (1,1'-Biphenyl)-4,4'-dicarboxaldehyde: It can react with ethane-1,2-diol to get 2,2'-di(1,3-dioxolan-2-yl)biphenyl. This reaction needs reagent TsOH and solvent benzene byheating. The reaction time is 15 hours. The yield is 72%. 

People can use the following data to convert to the molecule structure.
1. SMILES: O=Cc1ccc(cc1)c2ccc(cc2)C=O;
2. InChI: InChI=1/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H.

The following is the toxicity data which has been tested.