1-ANTHRACENECARBOXYLIC ACID

The 1-Anthracenecarboxylicacid, with the CAS registry number 607-42-1, is also known as 1-Anthracenecarboxylic acid. It belongs to the product category of Anthracenes. This chemical's molecular formula is C₁₅H₁₀O₂ and molecular weight is 222.24. What's more, its IUPAC name is Anthracene-1-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 1-Anthracenecarboxylicacid are: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 18.63; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 86.34; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 68.86 cm³; (15)Molar Volume: 170.1 cm³; (16)Polarizability: 27.3×10^-24 cm³; (17)Surface Tension: 61.7 dyne/cm; (18)Density: 1.305 g/cm³; (19)Flash Point: 206.1 °C; (20)Enthalpy of Vaporization: 76.85 kJ/mol; (21)Boiling Point: 467.5 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-09 mmHg at 25 °C.

Preparation of 1-Anthracenecarboxylicacid: this chemical is prepared by 9, 10-Dioxo-9, 10-dihydro-anthracene-1-carboxylic acid. This reaction needs reagents Zn and NH₄OH. The reaction temperature is 80 °C. The yield is about 49 %.

Uses of 1-Anthracenecarboxylicacid: it is used to produce other chemicals. For example, it is used to produce Anthracene-1-carboxylic acid 1-ethoxy-vinyl ester. This reaction needs catalyst [RuCl₂(p-cymene)]₂ and solvent Toluene. The reaction temperature is 0-20 °C. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c3cccc2cc1ccccc1cc23
(2) InChI: InChI=1/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)
(3) InChIKey: CCFAKBRKTKVJPO-UHFFFAOYAM