3,4,5,6-Tetrachloro-1,2-benzoquinone

Basic Information

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CAS Number

2435-53-2

Molecular Formula

C6Cl4O2

Molecular Weight

245.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

126.0 to 130.0 deg-C

Boiling Point

164.7°Cat760mmHg

Flash Point

60.3°C

Refractive Index

1.595

SMILES

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C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)Cl

InChI

InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

VRGCYEIGVVTZCC-UHFFFAOYSA-N

LogP

2.5166

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

306

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

STR03962
NSC 403503
3,4,5,6-Tetrachlorobenzo-1,2-quinone
MFCD00001646
CHLORANIL, O-
NSC-403503
SCHEMBL79009
BCP24227
3,4,5,6-Tetrachlorobenzo-1,2-quinone #
Q27287348
UNII-QN2NZL16NG
orthochloranii
3,5,6-Tetrachloro-1,2-benzoquinone
o-Chloroanil
QN2NZL16NG
3,5-Cyclohexadiene-1,2-dione, 3,4,5,6-tetrachloro-
ortho-Chloranil
InChI=1/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)
BDBM22776
CHEMBL364729
3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
NSC403503
SMR001875425
FT-0634277
3,4,5,6-Tetrachloro-o-benzoquinone
3,2-dione, 3,4,5,6-tetrachloro-
AKOS003630472
SY051953
1,2-BENZOQUINONE,TETRACHLORO
3,5,6-Tetrachloro-3,5-cyclohexadiene-1,2-dione
NS00005107

MDL Number

MFCD00001646

Customs Code

29147090

FAQ

What regulatory guidelines apply to 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2)?

3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires it to be classified as a toxic substance and a skin and eye irritant. It also falls under the European Union's REACH regulation, which mandates detailed chemical safety assessments. Additionally, the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) regulate its use and disposal due to its toxicity and potential environmental impact.

Are there alternatives to 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) in synthesis?

3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) can be synthesized using alternative reagents such as 2,3,4,6-tetrachlorobenzoquinone or 2,3,5,6-tetrachlorobenzoquinone, which are structurally similar. These alternates are less toxic and may have different regulatory requirements. Other synthetic routes might involve the use of different chlorinated benzoquinones or related compounds, depending on the specific application and desired properties.

What is the market or research trend for 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2)?

The market for 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) is limited due to its toxicity and environmental concerns. However, research trends are towards developing safer alternatives for its applications in oxidation reactions and as an intermediate in organic synthesis. Emerging research focuses on understanding its mechanism of action and exploring less harmful chemical pathways in industrial processes.

How should waste containing 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) be handled?

Waste containing 3,4,5,6-Tetrachloro-1,2-benzoquinone (CAS: 2435-53-2) should be collected in appropriate containers and stored in a secure, well-ventilated area. It should then be disposed of by incineration or through professional waste disposal services that are compliant with local regulations. Proper personal protective equipment (PPE) should be worn during handling, and environmental protection measures should be taken to prevent contamination of soil and water sources. Always consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.