2,6-Dibromoquinone-4-chloroimide - ≥98% , CAS No.537-45-1

CAS: 537-45-1 Cat. No.: D109478 Molecular Weight: 299.35 EC Number: 208-667-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2,6-Dibromo-4-(chloroimino)cyclohexa-2,5-dienone | 2,6-Dibromoquinone-4-chlorimide | 2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)- | 2,6-Dibromoquinone chlorimide | 2,6-Dibromoquinone-4-chloroimide | 2,6-Dibromoquinone chloroimide
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D109478-1g
2
$79.90
5g
D109478-5g
1
$263.90
25g
D109478-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,159.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2, 6-Dibromo-4-(chloroimino)cyclohexa-2, 5-dienone | 2, 6-Dibromoquinone-4-chlorimide | 2, 5-Cyclohexadien-1-one, 2, 6-dibromo-4-(chloroimino)- | 2, 6-Dibromoquinone chlorimide | 2, 6-Dibromoquinone-4-chloroimide | 2, 6-Dibromoquinone chloroimide
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=C(C(=O)C(=CC1=NCl)Br)Br
IUPAC Name2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one
InChIKeyJYWKEVKEKOTYEX-UHFFFAOYSA-N
INCHI1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
Isomeric SMILES C1=C(C(=O)C(=CC1=NCl)Br)Br
WGK Germany 3
Molecular Weight 299.35
Reaxy-Rn 2094249
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094249&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentAlpha-haloketones
Alternative Parents Cyclic ketones  Vinyl bromides  Bromoalkenes  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Alpha-haloketone - Cyclic ketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
D2412162Certificate of AnalysisJan 21, 2026 D109478
A2422267Certificate of AnalysisOct 13, 2025 D109478
D2412163Certificate of AnalysisApr 16, 2024 D109478
D2411398Certificate of AnalysisMar 09, 2024 D109478
A2422268Certificate of AnalysisJan 26, 2024 D109478
A2422269Certificate of AnalysisJan 26, 2024 D109478
L22151024Certificate of AnalysisDec 07, 2022 D109478
L22151028Certificate of AnalysisDec 07, 2022 D109478
L2215989Certificate of AnalysisDec 07, 2022 D109478
Chemical and Physical Properties
SolubilityInsoluble in water; Soluble in Chloroform,Ether,Acetone,Ethanol
SensitivityHeat & Light & Air sensitive.
Melt Point(°C)78-83°C
Molecular Weight299.350 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass298.817 Da
Monoisotopic Mass296.819 Da
Topological Polar Surface Area29.400 Ų
Heavy Atom Count11
Formal Charge0
Complexity269.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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