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3-Formyl-6-nitrochromone - 99%, high purity , CAS No.42059-80-3

COA

Grade & Purity:

≥99%

Cas Number: 42059-80-3
Molecular Weight: 219.15
MDL number: MFCD00192184
PubChem CID: 1268078

In stock

Item Number

F170271

Grouped product items
SKU	Size	Availability	Price
F170271-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
F170271-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
F170271-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Basic Description

Synonyms	BDBM50131072 \| A825742 \| DTXSID20361448 \| BP-12628 \| AQ-358/42007337 \| 4H-1-benzopyran-3-carboxaldehyde, 6-nitro-4-oxo- \| 3-Formyl-6-nitrochromone \| BS-23117 \| 6-Nitro-4-oxo-4H-1-benzopyran-3-carboxaldehyde \| 6-nitro-4-oxo-chromene-3-carbaldehyde \| 6-nitr
Specifications & Purity	≥99%
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.
Product Description	3-Formyl-6-nitrochromone (6-Nitro-4-oxo-4H-1-benzopyran-3-carboxaldehyde) is a benzopyran derivative. It is a bicyclic heterocyclic molecule made up of a benzene ring fused to a heterocyclic pyran ring. 3-Formyl-6-nitrochromone has been reported to exhibit inhibitory activity against urease.

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	Nitroaromatic compounds Pyranones and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Nitroaromatic compound - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aldehyde - 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

IUPAC Name	6-nitro-4-oxochromene-3-carbaldehyde
INCHI	InChI=1S/C10H5NO5/c12-4-6-5-16-9-2-1-7(11(14)15)3-8(9)10(6)13/h1-5H
InChIKey	JBDRQGWTNRIJRV-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)C=O
Isomeric SMILES	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)C=O
WGK Germany	3
Molecular Weight	219.15
Reaxy-Rn	403028
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=403028&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	157-161 °C
Molecular Weight	219.150 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	219.017 Da
Monoisotopic Mass	219.017 Da
Topological Polar Surface Area	89.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	370.000
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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