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6-Bromo-4-chloro-3-formylcoumarin - 97%, high purity , CAS No.51069-90-0

COA

Grade & Purity:

≥97%

Cas Number: 51069-90-0
Molecular Weight: 287.49
MDL number: MFCD02683800
PubChem CID: 4649129

In stock

Item Number

B469288

Grouped product items
SKU	Size	Availability	Price
B469288-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
B469288-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
B469288-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$144.90

View related series

Coumarin compounds (4)

Basic Description

Synonyms	A937241 \| starbld0000776 \| 6-Bromo-4-chloro-3-formylcoumarin 97 \| E81449 \| A899736 \| DTXSID30405241 \| AKOS015916286 \| SCHEMBL9910631 \| 6-bromo-4-chloro-2-oxochromene-3-carbaldehyde \| 6-Bromo-4-chloro-3-formylcoumarin, 97% \| 6-bromo-4-chloro-2-oxo-2h-chro
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Pyranones and derivatives Aryl-aldehydes Benzenoids Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl-aldehyde - Aryl bromide - Aryl chloride - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous halide - Lactone - Oxacycle - Organoheterocyclic compound - Aldehyde - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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	6-bromo-4-chloro-2-oxochromene-3-carbaldehyde
INCHI	InChI=1S/C10H4BrClO3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
InChIKey	IODFACUSJKQFGW-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C=O)Cl
Isomeric SMILES	C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C=O)Cl
WGK Germany	3
Molecular Weight	287.49
Reaxy-Rn	1573826
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1573826&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.

6 results found

Lot Number	Certificate Type	Date	Item
B2520278	Certificate of Analysis	Jan 17, 2025	B469288
B2520285	Certificate of Analysis	Jan 17, 2025	B469288
B2520286	Certificate of Analysis	Jan 17, 2025	B469288
B2520280	Certificate of Analysis	Jan 17, 2025	B469288
B2520310	Certificate of Analysis	Jan 17, 2025	B469288
B2520279	Certificate of Analysis	Jan 17, 2025	B469288

Chemical and Physical Properties

Sensitivity	Air sensitive
Melt Point(°C)	163-167 °C (lit.)
Molecular Weight	287.490 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	285.903 Da
Monoisotopic Mass	285.903 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	340.000
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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