2,5-Dichlorobenzo-1,4-quinone

The IUPAC name of 2,5-Dichlorobenzo-1,4-quinone is 2,5-dichlorocyclohexa-2,5-diene-1,4-dione. With the CAS registry number 615-93-0, it is also named as 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-. The product's categories are Anthraquinones, Hydroquinones and Quinones; Benzoquinones; C3 to C6; Carbonyl Compounds; Ketones, and the other registry number is 78844-56-1. Besides, it is yellow powder, which should be stored in sealed containers in a cool and dry place. In addition, its molecular formula is C₆H₂Cl₂O₂ and molecular weight is 176.98.

The other characteristics of this product can be summarized as: (1)EINECS: 210-453-8; (2)ACD/LogP: 0.65; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.65; (5)ACD/LogD (pH 7.4): 0.65; (6)ACD/BCF (pH 5.5): 1.83; (7)ACD/BCF (pH 7.4): 1.83; (8)ACD/KOC (pH 5.5): 53.62; (9)ACD/KOC (pH 7.4): 53.62; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 34.14 Å²; (14)Index of Refraction: 1.568; (15)Molar Refractivity: 37.04 cm³; (16)Molar Volume: 113.1 cm³; (17)Polarizability: 14.68×10^-24cm³; (18)Surface Tension: 47.2 dyne/cm; (19)Density: 1.56 g/cm³; (20)Flash Point: 98.5 °C; (21)Melting point 160-163 °C; (22)Enthalpy of Vaporization: 47.84 kJ/mol; (23)Boiling Point: 241.5 °C at 760 mmHg; (24)Vapour Pressure: 0.0358 mmHg at 25 °C.

Preparation of 2,5-Dichlorobenzo-1,4-quinone: this chemical can be prepared by 2,5-dichloro-hydroquinone.



This reaction needs silver oxide and diethyl ether. The reaction time is 30 min. The yield is 76 %.

Uses of 2,5-Dichlorobenzo-1,4-quinone: it can react with 1,3-bis(trimethylsilyl)carbodiimide to get 2,5-Dichloro-N,N'-dicyano-1,4-benzoquinonediimine.



This reaction needs TiCl₄ and CH₂Cl₂ for 2 hours. The yield is 58 %.

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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(C(=O)C=C(C1=O)Cl)Cl
(2)InChI: InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
(3)InChIKey: LNXVNZRYYHFMEY-UHFFFAOYSA-N