2,5-Dichlorobenzo-1,4-quinone
- CAS NO.:615-93-0
- Empirical Formula: C6H2Cl2O2
- Molecular Weight: 176.98
- MDL number: MFCD00041736
- EINECS: 210-453-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-27 16:49:21
What is 2,5-Dichlorobenzo-1,4-quinone?
Chemical properties
yellow powder
The Uses of 2,5-Dichlorobenzo-1,4-quinone
2,5-Dichloro-1,4-benzoquinone may be used in the following processes:
- As a starting material in the synthesis of asterriquinone D.
- As a model to study the utility of a novel photoreactor with LED (light-emitting diode) light source and a fibre-optic CCD (charge-coupled device) spectrophotometer.
- 2,5-dichloro-3,6-bi(3-indolyl)-1,4-hydroquinone synthesis by palladium catalyzed reaction with indole.
General Description
2,5-Dichloro-1,4-benzoquinone (DCBQ) is a halogenated quinone. DCBQs are carcinogenic intermediates.They have benn identified as chlorination disinfection byproducts in drinking water. DCBQ has been reported to increse the decomposition of a model ROOH tert-butylhydroperoxide, via formation of t-butoxyl radicals. The isomers of the DCBQ dimer have been investigated for the non-covalent interactions (NCIs) by quantum chemical calculations. Halogen bond present in 2,5-dichloro-1,4-benzoquinone have been investigated by experimental as well as theoretical charge density analysis. Its reaction with pyrrolidine has been investigated.
Purification Methods
Recrystallise it twice from 95% EtOH to give yellow needles [Beck et al. J Am Chem Soc 108 4018 1986]. The dioxime has m 278o(dec). [Beilstein 7 H 632, 7 I 346, 7 II 580, 7 III 3376, 7 IV 2081.]
Properties of 2,5-Dichlorobenzo-1,4-quinone
Melting point: | 160-163 °C(lit.) |
Boiling point: | 251.81°C (rough estimate) |
Density | 1.5138 (rough estimate) |
refractive index | 1.4595 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
form | powder to crystal |
color | Light yellow to Yellow to Orange |
Water Solubility | Insoluble in water. |
Stability: | Stable. Incompatible with strong oxidizing agents. |
CAS DataBase Reference | 615-93-0(CAS DataBase Reference) |
NIST Chemistry Reference | 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-(615-93-0) |
EPA Substance Registry System | 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro- (615-93-0) |
Safety information for 2,5-Dichlorobenzo-1,4-quinone
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,5-Dichlorobenzo-1,4-quinone
New Products
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