2-CHLORO-1,4-BENZOQUINONE

The 2,5-Cyclohexadiene-1,4-dione,2-chloro-, with the CAS registry number 695-99-8, is also known as 2-Chloro-1,4-benzoquinone. It belongs to the product categories of C₃ to C₆; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₆H₃ClO₂ and molecular weight is 142.54. What's more, its systematic name is 2-chlorocyclohexa-2,5-diene-1,4-dione. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,2-chloro- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.2; (8)ACD/KOC (pH 7.4): 42.2; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 32.43 cm³; (15)Molar Volume: 101.5 cm³; (16)Polarizability: 12.85×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 83.2 °C; (20)Enthalpy of Vaporization: 44.63 kJ/mol; (21)Boiling Point: 210.1 °C at 760 mmHg; (22)Vapour Pressure: 0.196 mmHg at 25°C.

Preparation of 2,5-Cyclohexadiene-1,4-dione,2-chloro-: this chemical can be prepared by 2-chloro-benzene-1,4-diol at the ambient temperature. This reaction will need reagent trimethylsilyl chlorochromate and solvent CH₂Cl₂ with the reaction time of 30 min. The yield is about 95%.

Uses of 2,5-Cyclohexadiene-1,4-dione,2-chloro-: it can be used to produce 2,5-dichloro-hydroquinone at the temperature of 20 °C. It will need reagent HCl and solvent benzene with the reaction time of 40 min. The yield is about 91%.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/C(=O)C(/Cl)=C/1
(2)InChI: InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H
(3)InChIKey: WOGWYSWDBYCVDY-UHFFFAOYSA-N