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3-Chloro-5-methoxyisoquinoline - 95%, high purity , CAS No.1691715-12-4

COA

Grade & Purity:

≥95%

Cas Number: 1691715-12-4
Molecular Weight: 193.63
EC Number: 818-596-3
PubChem CID: 103351543

In stock

Item Number

C587613

Grouped product items
SKU	Size	Availability	Price
C587613-100mg	100mg	3	$202.90
C587613-250mg	250mg	2	$420.90
C587613-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,399.90

Basic Description

Synonyms	MFCD30753125 \| 3-chloro-5-methoxyisoquinoline \| 3-chloro-5-methoxy-isoquinoline \| EN300-645062 \| SCHEMBL23578668 \| AT30995 \| 1691715-12-4 \| SY310997 \| PS-19911
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Anisoles Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen 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	3-chloro-5-methoxyisoquinoline
INCHI	InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-6-12-10(11)5-8(7)9/h2-6H,1H3
InChIKey	DHXPCSUVTFFVRC-UHFFFAOYSA-N
Smiles	COC1=CC=CC2=CN=C(C=C21)Cl
Isomeric SMILES	COC1=CC=CC2=CN=C(C=C21)Cl
Alternate CAS	1691715-12-4
Molecular Weight	193.63
Reaxy-Rn	38970635
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38970635&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2301399	Certificate of Analysis	Aug 19, 2023	C587613
I2301400	Certificate of Analysis	Aug 19, 2023	C587613
I2301401	Certificate of Analysis	Aug 19, 2023	C587613

Chemical and Physical Properties

Molecular Weight	193.630 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.029 Da
Monoisotopic Mass	193.029 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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