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4-Bromomethyl-6,7-dimethoxycoumarin - >98.0%(HPLC), high purity , CAS No.88404-25-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 88404-25-5
Molecular Weight: 299.12
Beilstein Registry Number: 4750490
MDL number: MFCD00011570
PubChem CID: 128870
PubChem SID: 504756994

In stock

Item Number

B151919

Grouped product items
SKU	Size	Availability	Price
B151919-25mg	25mg	2	$20.90
B151919-100mg	100mg	2	$59.90
B151919-500mg	500mg	3	$209.90
B151919-1g	1g	2	$377.90

View related series

Coumarins (70) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	GEO-03691 \| SCHEMBL67273 \| 4-(bromomethyl)-6,7-dimethoxy-2h-chromen-2-one \| 4-(bromomethyl)-6,7-dimethoxychromen-2-one \| DTXSID90237025 \| H-Glu(OBzl)-OBzl inverted exclamation mark currency 4-tosylate \| AS-70998 \| HY-W269179 \| 4-(Bromomethyl)-6,7-dimetho
Specifications & Purity	≥98%(HPLC)
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Alkyl halide - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - 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

Pubchem Sid	504756994
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756994
IUPAC Name	4-(bromomethyl)-6,7-dimethoxychromen-2-one
INCHI	InChI=1S/C12H11BrO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3
InChIKey	JGODLBJJCNQFII-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Isomeric SMILES	COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
WGK Germany	3
Molecular Weight	299.12
Beilstein	4750490
Reaxy-Rn	4750487
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4750487&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
G2207114	Certificate of Analysis	Apr 09, 2025	B151919
L2417200	Certificate of Analysis	Dec 30, 2024	B151919
G2131068	Certificate of Analysis	May 14, 2024	B151919
G2131069	Certificate of Analysis	May 14, 2024	B151919
G2131070	Certificate of Analysis	May 14, 2024	B151919
D2425004	Certificate of Analysis	Apr 29, 2024	B151919

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Heat sensitive;Moisture sensitive
Melt Point(°C)	211-216 °C
Molecular Weight	299.120 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	297.984 Da
Monoisotopic Mass	297.984 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	328.000
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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