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7-Chloro-3，4-dihydroisoquinoline - ≥95%, high purity , CAS No.60518-41-4

COA

Grade & Purity:

≥95%

Cas Number: 60518-41-4
Molecular Weight: 165.62
PubChem CID: 19748121

In stock

Item Number

C693070

Grouped product items
SKU	Size	Availability	Price
C693070-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
C693070-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
C693070-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$56.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dihydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Dihydroisoquinolines
Alternative Parents	Benzenoids Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Imines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroisoquinoline - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond.
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	7-chloro-3,4-dihydroisoquinoline
INCHI	InChI=1S/C9H8ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKey	QVPMZULEYMEMKH-UHFFFAOYSA-N
Smiles	C1CN=CC2=C1C=CC(=C2)Cl
Isomeric SMILES	C1CN=CC2=C1C=CC(=C2)Cl
PubChem CID	19748121
Molecular Weight	165.62

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.620 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	165.035 Da
Monoisotopic Mass	165.035 Da
Topological Polar Surface Area	12.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167.000
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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