BENZOPHENONE-4,4'-DICARBOXYLIC ACID

The systematic name of Benzoic acid,4,4'-carbonylbis- is 4,4'-carbonyldibenzoic acid. With the CAS registry number 964-68-1, it is also named as Benzophenone-4,4'-dicarboxylic Acid. The product's categories are Aromatic Benzophenones & Derivatives (substituted); Benzophenones (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.

The other characteristics of this chemical can be summarized as: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.67 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 69.9 cm³; (15)Molar Volume: 192.6 cm³; (16)Polarizability: 27.71×10^-24cm³; (17)Surface Tension: 67 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 291.1 °C; (20)Enthalpy of Vaporization: 85.33 kJ/mol; (21)Boiling Point: 534.5 °C at 760 mmHg; (22)Vapour Pressure: 2.97E-12 mmHg at 25°C.

Preparation OF Benzoic acid,4,4'-carbonylbis-: It can be obtained by 4,4'-carbonyl-di-benzonitrile. This reaction needs reagent aq. H₂SO₄ by heating. The yield is 78%.

Uses of Benzoic acid,4,4'-carbonylbis-: It can react with 2-methyl-propan-2-ol to get Bis(4-tert-butoxycarbonylphenyl) ketone. This reaction needs reagent DCC, DMAP and solvent CH₂Cl₂ at ambient temperature. The yield is 47%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c2ccc(C(=O)c1ccc(C(=O)O)cc1)cc2
2. InChI:InChI=1/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
3. InChIKey:LFEWXDOYPCWFHR-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
5. Std. InChIKey:LFEWXDOYPCWFHR-UHFFFAOYSA-N