2,6-Dichloro-1,4-benzoquinone

Basic Information

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CAS Number

697-91-6

Molecular Formula

C6H2Cl2O2

Molecular Weight

176.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

120.0 to 123.0 deg-C

Boiling Point

241.5°C at 760 mmHg

Density

1.5138 (rough estimate)

Water Solubility

Insoluble in water. Solubility in methanol (almost transparency).

Flash Point

98.5°C

Refractive Index

1.4595 (estimate)

SMILES

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C1=C(C(=O)C(=CC1=O)Cl)Cl

InChI

InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

InChIKey

JCARTGJGWCGSSU-UHFFFAOYSA-N

LogP

1.3836

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

239

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

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

Sensitiveness

Sensitive to air

Synonyms & References

English

2,6-Dichloroquinone
2,6-Dichloro-1,4-benzoquinone
2,6-Dichlorobenzo-1,4-quinone
2,6-Dichlorobenzo-1,4-quinone #
2,6-Dichloquinone
NSC 6211
p-BENZOQUINONE, 2,6-DICHLORO-
SCHEMBL57203
p-Quinone,6-dichloro-
NSC-6211
2,4-dione, 2,6-dichloro-
2,6-Dichlorobenzoquinone
FT-0655595
Q-101906
p-Quinone, 2,6-dichloro-
2,6-Dichloro-2,5-cyclohexa-diene-1,4-dione
DTXSID7061019
2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
H11787
CHEBI:147298
D0344
F9995-1273
2,6-DCBQ
EINECS 211-810-0
DCBQ
AKOS005146277
InChI=1/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2
p-Benzoquinone,6-dichloro-
CS-0132340
Q63409002
2,6-Dichloro-p-quinone

MDL Number

MFCD00037159

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6)?

2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6) is a crystalline solid with a molecular weight of 228.03 g/mol. It has a melting point of 138-139°C and is sparingly soluble in water. This compound is known for its strong oxidizing properties and can react with various reagents to form other chlorinated compounds. It is also thermally stable and has good air stability.

How is 2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6) typically synthesized?

2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6) is typically synthesized through the chlorination of 1,4-benzoquinone in the presence of thionyl chloride. The reaction is carried out under anhydrous conditions and involves the use of a catalyst like aluminum chloride. The yield is usually around 70-80%, with high selectivity towards the desired product.

What industries use 2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6)?

2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6) is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of certain drugs. It is also utilized in the production of organic pigments, as an agent in the manufacturing of polymers, and in the development of sensors and semiconductors. Its strong oxidizing properties make it valuable in these applications.

What precautions should be taken when handling 2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6)?

When handling 2,6-Dichloro-1,4-benzoquinone (CAS: 697-91-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.