2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]-

The 2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]-, with the CAS registry number of 956-48-9, is also known as 2,6-Dichloro-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one. Its EINECS registry number is 213-479-8. Its molecular formula is C₁₂H₇Cl₂NO₂ and molecular weight is 268.10. What's more, its IUPAC name is 4-(3,5-Dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one. This chemical's classification code is Indicators and Reagents. It is a dye used as a reagent in the determination of vitamin C.

Physical properties about the 2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.71; (6)ACD/BCF (pH 7.4): 16.67; (7)ACD/KOC (pH 5.5): 261.19; (8)ACD/KOC (pH 7.4): 260.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.66 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 66.7 cm³; (15)Molar Volume: 186.6 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.43 g/cm³; (18)Flash Point: 191.8 °C; (19)Enthalpy of Vaporization: 66.85 kJ/mol; (20)Boiling Point: 393.5 °C at 760 mmHg; (21)Vapour Pressure: 9.34E-07 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2,6-Dichlorophenolindophenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside. This reaction needs reagent Ag₂O. Meanwhile, it needs solvent Benzene. The yield is about 38.8 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C2=CC(=N/c1ccc(O)cc1)/C=C(/Cl)C2=O
(2) InChI: InChI=1/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H
(3) InChIKey: CCBICDLNWJRFPO-UHFFFAOYAL