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1-Chloroisoquinoline - 90%, high purity , CAS No.19493-44-8

COA

Grade & Purity:

≥90%

Cas Number: 19493-44-8
Molecular Weight: 163.6
Beilstein Registry Number: 20(5)7,361
MDL number: MFCD00024134
PubChem CID: 140539

In stock

Item Number

C598621

Grouped product items
SKU	Size	Availability	Price
C598621-1g	1g	3	$38.90
C598621-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$141.90
C598621-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$568.90
C598621-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,901.90

Basic Description

Synonyms	1-chloroisoquinoline \| 19493-44-8 \| 1-Chloro-isoquinoline \| Isoquinoline, 1-chloro- \| 1-Chloroisoquinone \| 1-chloro isoquinoline \| MFCD00024134 \| Isoquinoline, chloro- \| chloroisoquinoline \| 1-chlorisochinolin \| NSC170839 \| 1-Chloroisoquinoline, 95% \| SCHEMBL144590 \| AMY9270 \| DTXSI
Specifications & Purity	≥90%
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.
Product Description	The product has been used in a Mn-catalyzed cross-coupling with aryl- and alkylmagnesium halides. It has also been used in a Pd-catalyzed cross-coupling with heteroaryl boronic acids and esters. Furthermore, it has been used in a homocoupling reaction to yield bis-isoquinoline, each enantiomer of which might be very useful as a chiral ligand for asymmetric synthesis.

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	2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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	1-chloroisoquinoline
INCHI	InChI=1S/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey	MSQCQINLJMEVNJ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CN=C2Cl
Isomeric SMILES	C1=CC=C2C(=C1)C=CN=C2Cl
WGK Germany	3
Molecular Weight	163.6
Beilstein	20(5)7,361
Reaxy-Rn	2996
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2996&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
G2312039	Certificate of Analysis	Jul 15, 2023	C598621
G2312041	Certificate of Analysis	Jul 15, 2023	C598621

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Moisture & heat & air sensitive
Flash Point(°F)	>110°C
Flash Point(°C)	>110°C
Boil Point(°C)	274-275°C
Melt Point(°C)	35-37°C
Molecular Weight	163.600 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	163.019 Da
Monoisotopic Mass	163.019 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
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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