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6-Bromo-3-methoxyisoquinoline - 97%, high purity , CAS No.1330750-63-4

COA

Grade & Purity:

≥97%

Cas Number: 1330750-63-4
Molecular Weight: 238.08
PubChem CID: 67491807

In stock

Item Number

B331986

Grouped product items
SKU	Size	Availability	Price	Qty
B331986-100mg	100mg	3	$186.90
B331986-500mg	500mg	3	$718.90

Discover 6-Bromo-3-methoxyisoquinoline by Aladdin Scientific in 97% for only $186.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	JVMUEAIOOCTKKJ-UHFFFAOYSA-N \| C91004 \| Isoquinoline, 6-bromo-3-methoxy- \| 6-Bromo-3-methoxyisoquinoline \| SCHEMBL2672107 \| MFCD19982315 \| 6-Bromo-3-methoxy-2-azanaphthalene \| C90746 \| DTXSID50737379 \| 1330750-63-4
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	Alkyl aryl ethers Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - 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	6-bromo-3-methoxyisoquinoline
INCHI	InChI=1S/C10H8BrNO/c1-13-10-5-8-4-9(11)3-2-7(8)6-12-10/h2-6H,1H3
InChIKey	JVMUEAIOOCTKKJ-UHFFFAOYSA-N
Smiles	COC1=NC=C2C=CC(=CC2=C1)Br
Isomeric SMILES	COC1=NC=C2C=CC(=CC2=C1)Br
Molecular Weight	238.08
Reaxy-Rn	22445487
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22445487&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
B2209390	Certificate of Analysis	Nov 07, 2024	B331986
B2209389	Certificate of Analysis	Nov 07, 2024	B331986

Chemical and Physical Properties

Molecular Weight	238.080 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	236.979 Da
Monoisotopic Mass	236.979 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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