4,5-Dichloronaphthalene-1,8-dicarboxylic anhydride

The 4,5-Dichloronaphthalene-1,8-dicarboxylic anhydride, with cas registry number 7267-14-3, belongs to the following product categories: Intermediates of Dyes and Pigments. It has the systematic name of 8-(8-carboxy-4,5-dichloro-naphthalene-1-carbonyl)oxycarbonyl-4,5-dichloro-naphthalene-1-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 11.11; (6)ACD/BCF (pH 7.4): 10.68; (7)ACD/KOC (pH 5.5): 13.05; (8)ACD/KOC (pH 7.4): 12.54; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 117.97 Å²; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 132.11 cm³; (15)Molar Volume: 327.8 cm³; (16)Polarizability: 52.37×10^-24cm³; (17)Surface Tension: 76 dyne/cm; (18)Enthalpy of Vaporization: 126.96 kJ/mol; (19)Vapour Pressure: 1.86E-29 mmHg at 25°C.

Uses of 4,5-Dichloronaphthalene-1,8-dicarboxylic anhydride: it can be used to produce 4,5-dichloro-1,8-naphthalenebismethanol. This reaction will need reagent LiAlH₄ and solvent diethyl ether, benzene. The reaction time is 35 hours. The yield is about 35.5 %.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c2c(ccc(c2c1C(=O)O)C(=O)OC(=O)c3ccc(c4c3c(ccc4Cl)C(=O)O)Cl)Cl)Cl
(2)InChI: InChI=1/C24H10Cl4O7/c25-13-5-1-9(21(29)30)17-11(3-7-15(27)19(13)17)23(33)35-24(34)12-4-8-16(28)20-14(26)6-2-10(18(12)20)22(31)32/h1-8H,(H,29,30)(H,31,32)
(3)InChIKey: VIKZQPVCPLPJGB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C24H10Cl4O7/c25-13-5-1-9(21(29)30)17-11(3-7-15(27)19(13)17)23(33)35-24(34)12-4-8-16(28)20-14(26)6-2-10(18(12)20)22(31)32/h1-8H,(H,29,30)(H,31,32)
(5)Std. InChIKey: VIKZQPVCPLPJGB-UHFFFAOYSA-N