2-(2,5-Dichlorophenyl)-1,4-benzoquinone

Basic Information

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CAS Number

79756-69-7

Molecular Formula

C12H6Cl2O2

Molecular Weight

253.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C(C=C1)C(C2=CC(Cl)=CC=C2Cl)=CC1=O

InChI

InChI=1S/C12H6Cl2O2/c13-7-1-3-11(14)9(5-7)10-6-8(15)2-4-12(10)16/h1-6H

InChIKey

ZKHFYORNAYYOTM-UHFFFAOYSA-N

LogP

3.0848000000000013

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

385

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

TPI-1
TPI 1
2-(2,5-dichlorophenyl)cyclohexa-2,5-diene-1,4-dione
2-(2,5-Dichlorophenyl)-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 2-(2,5-dichlorophenyl)-
2',5'-Dichloro-[1,1'-biphenyl]-2,5-dione
2-(2,5-dichlorophenyl)-2,5-cyclohexadiene-1,4-dione
2-(2',5'-dichlorophenyl)-1,4-benzoquinone
CBMicro_042121
Tyrosine Phosphatase Inhibitor 1
BCP28977
NSC731240
STK338097
AK688821

MDL Number

MFCD00448731

FAQ

What regulatory guidelines apply to 2-(2,5-Dichlorophenyl)-1,4-benzoquinone (CAS: 79756-69-7)?

2-(2,5-Dichlorophenyl)-1,4-benzoquinone is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a toxic substance. It is regulated under REACH in the European Union, requiring registration if manufactured or imported in significant quantities. In the U.S., the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also have specific requirements and restrictions related to handling, storage, and disposal.

Are there alternatives to 2-(2,5-Dichlorophenyl)-1,4-benzoquinone (CAS: 79756-69-7) in synthesis?

Alternatives to 2-(2,5-Dichlorophenyl)-1,4-benzoquinone include other benzoquinones or their derivatives, such as chlorinated or brominated analogs. Common alternative reagents include 2,5-dichlorophenol and 1,4-benzoquinone. These alternatives may offer similar reactivity but with different environmental and health impacts, which should be considered in synthesis planning.

What is the market or research trend for 2-(2,5-Dichlorophenyl)-1,4-benzoquinone (CAS: 79756-69-7)?

The market for 2-(2,5-Dichlorophenyl)-1,4-benzoquinone is influenced by its use in industrial processes, particularly in the synthesis of pharmaceuticals and dyes. Research trends focus on developing more environmentally friendly alternatives and understanding its environmental impact. The trend towards sustainable chemistry and green chemistry is expected to drive innovation in the use and production of this compound.

How should waste containing 2-(2,5-Dichlorophenyl)-1,4-benzoquinone (CAS: 79756-69-7) be handled?

Waste containing 2-(2,5-Dichlorophenyl)-1,4-benzoquinone should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be conducted under controlled conditions to minimize environmental impact. Environmental protection measures include proper handling to prevent spillage and ensure that all safety guidelines, such as those from OSHA and EPA, are followed.