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6-chloro-1,2,3,4-tetrahydroisoquinolin-1-one - 97%, high purity , CAS No.22246-02-2

COA

Grade & Purity:

≥97%

Cas Number: 22246-02-2
Molecular Weight: 181.62
PubChem CID: 19375637

In stock

Item Number

C175778

Grouped product items
SKU	Size	Availability	Price	Qty
C175778-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
C175778-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90

Discover 6-chloro-1,2,3,4-tetrahydroisoquinolin-1-one by Aladdin Scientific in 97% for only $52.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	22246-02-2 \| 6-Chloro-3,4-dihydroisoquinolin-1(2H)-one \| 6-Chloro-3,4-dihydro-2H-isoquinolin-1-one \| MFCD04114866 \| 6-Chloro-3,4-dihydro-1(2H)-isoquinolinone \| 1(2h)-isoquinolinone, 6-chloro-3,4-dihydro- \| SCHEMBL1315035 \| 6-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE \| D
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Tetrahydroisoquinolines Benzenoids Aryl chlorides Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Tetrahydroisoquinoline - Aryl chloride - Aryl halide - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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-chloro-3,4-dihydro-2H-isoquinolin-1-one
INCHI	InChI=1S/C9H8ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChIKey	RQKCSUSXBKSENU-UHFFFAOYSA-N
Smiles	C1CNC(=O)C2=C1C=C(C=C2)Cl
Isomeric SMILES	C1CNC(=O)C2=C1C=C(C=C2)Cl
Molecular Weight	181.62
Reaxy-Rn	1449465
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449465&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	181.620 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	181.029 Da
Monoisotopic Mass	181.029 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195.000
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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