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8-Bromo-5-nitroisoquinoline - 95%, high purity , CAS No.252861-41-9

COA

Grade & Purity:

≥95%

Cas Number: 252861-41-9
Molecular Weight: 253.1
PubChem CID: 18373975

In stock

Item Number

B183168

Grouped product items
SKU	Size	Availability	Price
B183168-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
B183168-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
B183168-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$158.90
B183168-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$492.90

Discover 8-Bromo-5-nitroisoquinoline by Aladdin Scientific in 95% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	8-BROMO-5-NITROISOQUINOLINE \| 252861-41-9 \| 8-Bromo-5-nitro-isoquinoline \| MFCD08282783 \| SCHEMBL7106466 \| AMY1745 \| DTXSID20593222 \| AKOS005255175 \| CS-W006848 \| DS-1614 \| FT-0644126 \| EN300-175766 \| F52646 \| A817759 \| J-015911
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Nitroaromatic compounds Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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	8-bromo-5-nitroisoquinoline
INCHI	InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8/h1-5H
InChIKey	BCQCHGICDSWPJK-UHFFFAOYSA-N
Smiles	C1=CC(=C2C=NC=CC2=C1[N+](=O)[O-])Br
Isomeric SMILES	C1=CC(=C2C=NC=CC2=C1[N+](=O)[O-])Br
Molecular Weight	253.1
Reaxy-Rn	14006185
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14006185&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	253.050 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	251.953 Da
Monoisotopic Mass	251.953 Da
Topological Polar Surface Area	58.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
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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