Skip to the beginning of the images gallery

7-Nitro-3，4-dihydroisoquinoline - ≥95%, high purity , CAS No.62541-59-7

COA

Grade & Purity:

≥95%

Cas Number: 62541-59-7
Molecular Weight: 176.17
PubChem CID: 3751287

In stock

Item Number

N708858

Grouped product items
SKU	Size	Availability	Price	Qty
N708858-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,392.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dihydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Dihydroisoquinolines
Alternative Parents	Nitroaromatic compounds Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Imines Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroisoquinoline - Nitroaromatic compound - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Imine - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond.
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	7-nitro-3,4-dihydroisoquinoline
INCHI	InChI=1S/C9H8N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKey	GVHORNVRKMSZLA-UHFFFAOYSA-N
Smiles	C1CN=CC2=C1C=CC(=C2)[N+](=O)[O-]
Isomeric SMILES	C1CN=CC2=C1C=CC(=C2)[N+](=O)[O-]
PubChem CID	3751287
Molecular Weight	176.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.170 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	176.059 Da
Monoisotopic Mass	176.059 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	234.000
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