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6-Bromo-3-formylchromone - >97.0%, high purity , CAS No.52817-12-6

COA

Grade & Purity:

≥97%

Cas Number: 52817-12-6
Molecular Weight: 253.05
Beilstein Registry Number: 17(5)11,359
MDL number: MFCD00191849
PubChem CID: 614309
PubChem SID: 504759548

In stock

Item Number

B152562

Grouped product items
SKU	Size	Availability	Price
B152562-1g	1g	5	$9.90
B152562-5g	5g	1	$36.90
B152562-25g	25g	2	$125.90

View related series

Benzopyrans (61) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	AS-48290 \| EN300-11886 \| F30193 \| B2183 \| 6-Bromo-3-formylchromone \| C10H5BrO3 \| FT-0640110 \| SCHEMBL177572 \| 6-Bromo-4-oxo-4H-chromene-3-carbaldehyde # \| 6-Bromochromone-3-carboxaldehyde \| AC-25539 \| AKOS000275968 \| DTXSID00346713 \| 6-Bromo-4-oxo-4H-chro
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	6-Bromo-3-formylchromone (6-Bromo-4-oxo-4H-1-benzopyran-3-carboxaldehyde) is a 3-formylchromone derivative. In vivo cytotoxic activity of 6-bromo-3-formylchromone against normal and tumor cells has been tested.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Pyranones and derivatives Aryl-aldehydes Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Pyranone - Aryl-aldehyde - Benzenoid - Pyran - Aryl halide - Aryl bromide - Heteroaromatic compound - Oxacycle - Aldehyde - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759548
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759548
IUPAC Name	6-bromo-4-oxochromene-3-carbaldehyde
INCHI	InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChIKey	PCEZXSJBHMOQFT-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O
Isomeric SMILES	C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O
WGK Germany	3
Molecular Weight	253.05
Beilstein	17(5)11,359
Reaxy-Rn	1619935
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1619935&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
F2115130	Certificate of Analysis	Mar 13, 2024	B152562
F2115131	Certificate of Analysis	Mar 13, 2024	B152562
F2115132	Certificate of Analysis	Mar 13, 2024	B152562
L2417079	Certificate of Analysis	Mar 13, 2024	B152562
E2330017	Certificate of Analysis	May 29, 2021	B152562

Chemical and Physical Properties

Sensitivity	air sensitive
Melt Point(°C)	190-193 °C
Molecular Weight	253.050 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	251.942 Da
Monoisotopic Mass	251.942 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	298.000
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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