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1-Bromo-4-chloroisoquinoline - 97%, high purity , CAS No.925890-48-8

COA

Grade & Purity:

≥97%

Cas Number: 925890-48-8
Molecular Weight: 242.5
PubChem CID: 17750577

In stock

Item Number

B195875

Grouped product items
SKU	Size	Availability	Price	Qty
B195875-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
B195875-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90

Discover 1-Bromo-4-chloroisoquinoline by Aladdin Scientific in 97% for only $54.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-Bromo-4-chloroisoquinoline \| 925890-48-8 \| SCHEMBL17026767 \| DTXSID50590582 \| MFCD08437045 \| AKOS022173803 \| DS-5972 \| A860042
Specifications & Purity	≥97%
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	Polyhalopyridines 2-halopyridines Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - 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	1-bromo-4-chloroisoquinoline
INCHI	InChI=1S/C9H5BrClN/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H
InChIKey	DWURDEVVUPUUPU-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=CN=C2Br)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C(=CN=C2Br)Cl
Molecular Weight	242.5
Reaxy-Rn	23400984
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23400984&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	242.500 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	240.929 Da
Monoisotopic Mass	240.929 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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