2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one

Basic Information

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CAS Number

537-45-1

Molecular Formula

C6H2Br2ClNO

Molecular Weight

299.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

81.0 to 84.0 deg-C

Refractive Index

1.6110 (estimate)

SMILES

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C1=C(C(=O)C(=CC1=NCl)Br)Br

InChI

InChI=1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChIKey

JYWKEVKEKOTYEX-UHFFFAOYSA-N

LogP

2.7215

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

269

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic 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

Sensitiveness

Sensitive to heat and light

Synonyms & References

English

2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one
WLN: L6V DYJ BE DUNG FE
A829758
2, 2,6-dibromo-4-(chloroimino)-
2,6-Dibromoquinone-4-chloroimine
potassiumthioacetate
537-45-1
2,6-Dibromoquinone-4-chloroimide
2,6-DIBROMOQUINONE-4-CHLORIMIDE [MI]
EINECS 208-667-1
NSC 528
2, 4-chloroimino-2,6-dibromo-
AKOS015917283
BQC reagent
NS00022328
2,6-Dibromoquinone-4-chloroimide, JIS special grade
2,6-Dibromo-p-benzoquinone-4-chlorimine
DTXSID1060215
JYWKEVKEKOTYEX-UHFFFAOYSA-N
Q27279725
2,6-DIBROMO-N-CHLOROQUINONIMINE
2,6-Dibromo-4-(chloroimino)cyclohexa-2,5-dienone
2,6-Dibromoquinone chloroimide
2,6-Dibromo-1,4-quinone-4-chlorimide
N-Chloro-2,6-dibromoquinoneimine
NSC-528
CHEMBL3276933
4-Chloroimino-2,6-dibromo-2,5-cyclohexadiene-1-one
C6H2Br2ClNO
PD088735
2,5-Cyclohexadien-1-one, 4-chloroimino-2,6-dibromo-

MDL Number

MFCD00013792

Customs Code

2925290090

FAQ

What regulatory guidelines apply to 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1)?

2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for health and environmental hazards. It also falls under the European Chemicals Agency (ECHA) REACH regulations, and the U.S. Environmental Protection Agency (EPA) for handling and storage requirements. The U.S. Food and Drug Administration (FDA) may also have specific guidelines for its use in pharmaceuticals or other applications.

Are there alternatives to 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1) in synthesis?

While 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one is a specific compound, alternatives such as other bromo and chloro derivatives, or isomeric cyclohexadienones, can be used in similar syntheses. Common reagents like 2-bromocyclohex-1-en-1-one or 2-chlorocyclohex-1-en-1-one can serve as viable alternatives, depending on the specific chemical reactions and desired end products.

What is the market or research trend for 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1)?

The market for 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one is primarily driven by its applications in pharmaceuticals, agrochemicals, and organic synthesis. Research trends indicate increasing interest in its use for developing new drugs and pesticides. Market dynamics show steady demand, supported by ongoing research and development in these fields.

How should waste containing 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1) be handled?

Waste containing 2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one (CAS: 537-45-1) should be collected in appropriate containers and labeled according to GHS guidelines. It should be stored separately from incompatible materials and disposed of through professional chemical waste disposal services. Proper incineration or neutralization methods should be employed to ensure environmental safety.