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2,4,4,6-Tetrabromo-2,5-cyclohexadienone - >97.0%(T), high purity , CAS No.20244-61-5

COA

Grade & Purity:

≥97%(T)

Cas Number: 20244-61-5
Molecular Weight: 409.7
MDL number: MFCD00001589
PubChem CID: 88433

In stock

Item Number

T161565

Grouped product items
SKU	Size	Availability	Price
T161565-1g	1g	1	$21.90
T161565-5g	5g	1	$82.90
T161565-25g	25g	1	$284.90

View related series

C-X (halogen) bonding reaction (23) Carbonyl compound (2335)

Basic Description

Synonyms	s12013 \| 2,4,4,6-Tetrabromo-2,5-cyclohexadienone, 90% \| EINECS 243-638-7 \| AM85657 \| FT-0609771 \| 2,4,4,6-tetrabromo-2,5-cyclohexadien-1-one \| 2,4,4,6-tetrabromo-2,5-cyclohexadiene-1-one \| SCHEMBL2649 \| 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-methylphenyl)a
Specifications & Purity	≥97%(T)
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	2,4,4,6-Tetrabromo-2,5-cyclohexadienone forms solid charge-transfer molecular complexes with 4-(aminomethyl)piperidine and their spectroscopic characteristics were studied. 2,4,4,6-Tetrabromo-2,5-cyclohexadienone was used as catalyst for efficient deoxygenation of sulfoxides to their corresponding sulfides with 1,3-dithiane.[2] It was also used as reagent for conversion of alcohols to azides.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Cyclic ketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-haloketone - Cyclic ketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
INCHI	InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChIKey	NJQJGRGGIUNVAB-UHFFFAOYSA-N
Smiles	C1=C(C(=O)C(=CC1(Br)Br)Br)Br
Isomeric SMILES	C1=C(C(=O)C(=CC1(Br)Br)Br)Br
PubChem CID	88433
Molecular Weight	409.7
Reaxy-Rn	2048028

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2408596	Certificate of Analysis	Mar 18, 2024	T161565
C2408597	Certificate of Analysis	Mar 18, 2024	T161565
C2408598	Certificate of Analysis	Mar 18, 2024	T161565
C2408599	Certificate of Analysis	Mar 18, 2024	T161565
C2408600	Certificate of Analysis	Mar 18, 2024	T161565
C2408601	Certificate of Analysis	Mar 18, 2024	T161565

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Molecular Weight	409.690 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	409.68 Da
Monoisotopic Mass	405.684 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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