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824-69-1

Basic Information
CAS No.: 824-69-1
Name: 2,5-DICHLOROHYDROQUINONE
Article Data: 42
Molecular Structure:
Molecular Structure of 824-69-1 (2,5-DICHLOROHYDROQUINONE)
Formula: C6H4Cl2O2
Molecular Weight: 179.003
Synonyms: Hydroquinone,2,5-dichloro- (6CI,7CI,8CI);2,5-Dichloro-1,4-dihydroxybenzene;2,5-Dichloro-1,4-hydroquinone;2,5-Dichloro-4-hydroxyphenol;2,5-Dichloro-p-benzohydroquinone;2,5-Dichloro-p-hydroquinone;2,5-Dichlorohydroquinone;NSC 48667;
EINECS: 212-533-8
Density: 1.624 g/cm3
Melting Point: 168-171 °C(lit.)
Boiling Point: 274 °C at 760 mmHg
Flash Point: 119.5 °C
Appearance: almost white to pink-brown crystalline powder
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-27-36/37/39-45
PSA: 40.46000
LogP: 2.40460
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Specification

The 2,5-Dichlorohydroquinone is an organic compound with the formula C6H4Cl2O2. The IUPAC name of this chemical is 2,5-dichlorobenzene-1,4-diol. With the CAS registry number 824-69-1, it is also named as 1,4-Benzenediol, 2,5-dichloro-. The product's categories are Organic Building Blocks; Oxygen Compounds; Polyols. It is almost white to pink-brown crystalline powder which should be sealed in the container and stored in the cool and dry place which must be away from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 34.53; (6)ACD/BCF (pH 7.4): 27.15; (7)ACD/KOC (pH 5.5): 438.73; (8)ACD/KOC (pH 7.4): 345.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 39.8 cm3; (15)Molar Volume: 110.1 cm3; (16)Polarizability: 15.78×10-24 cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.624 g/cm3; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 53.3 kJ/mol; (21)Boiling Point: 274 °C at 760 mmHg; (22)Vapour Pressure: 0.00332 mmHg at 25°C.

Preparation of 2,5-Dichlorohydroquinone: It can be obtained by 2-chloro-[1,4]benzoquinone. This reaction needs reagent HCl and solvent benzene at temperature of 20 °C. The reaction time is 40 min. The yield is 91%.

2,5-Dichlorohydroquinone can be obtained by 2-chloro-[1,4]benzoquinone

Uses of 2,5-Dichlorohydroquinone: It can be used to produce tris(2,5-dichloro-4-hydroxyphenyl) phosphate. This reaction needs reagents PCl5, H2O and solvent benzene by heating. The reaction time is 30 min. The yield is 100%.

2,5-Dichlorohydroquinone can be used to produce tris(2,5-dichloro-4-hydroxyphenyl) phosphate

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1c(O)cc(Cl)c(O)c1
2. InChI:InChI=1/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
3. InChIKey:AYNPIRVEWMUJDE-UHFFFAOYAH