Skip to the beginning of the images gallery

7-Nitro-3,4-benzocoumarin - 98%, high purity , CAS No.6638-64-8

COA

Grade & Purity:

≥98%

Cas Number: 6638-64-8
Molecular Weight: 241.2
MDL number: MFCD00004992
PubChem CID: 96017

In stock

Item Number

N293775

Grouped product items
SKU	Size	Availability	Price	Qty
N293775-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90

Basic Description

Synonyms	6638-64-8 \| 7-Nitro-3,4-benzocoumarin \| 3-Nitro-6H-benzo[c]chromen-6-one \| 3-nitrobenzo[c]chromen-6-one \| 3-Nitro-6H-dibenzo(b,d)pyran-6-one \| 3-Nitro-6H-dibenzo[b,d]pyran-6-one \| 6H-Dibenzo(b,d)pyran-6-one, 3-nitro- \| 8AG8EV4H44 \| NSC-48270 \| CCRIS 7714 \| NSC48270 \| UNII-8AG8
Specifications & Purity	≥98%
Shipped In	Normal

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	Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Nitroaromatic compounds Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Nitroaromatic compound - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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	3-nitrobenzo[c]chromen-6-one
INCHI	InChI=1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H
InChIKey	KWGYGQPIDANWAX-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O
WGK Germany	2
RTECS	HP8757700
Molecular Weight	241.2
Reaxy-Rn	1288485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1288485&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.200 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	241.038 Da
Monoisotopic Mass	241.038 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	364.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration