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8-Bromo-1,2,3,4-tetrahydroisoquinoline - 98%, high purity , CAS No.75416-51-2

COA

Grade & Purity:

≥97%

Cas Number: 75416-51-2
Molecular Weight: 212.09
PubChem CID: 12630420
PubChem SID: 504767181

In stock

Item Number

B194913

Grouped product items
SKU	Size	Availability	Price
B194913-100mg	100mg	3	$28.90
B194913-250mg	250mg	3	$52.90
B194913-1g	1g	3	$107.90
B194913-5g	5g	3	$361.90

Basic Description

Synonyms	8-Bromo-1,2,3,4-tetrahydroisoquinoline \| 75416-51-2 \| 8-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE \| Isoquinoline, 8-bromo-1,2,3,4-tetrahydro- \| MFCD10001500 \| SCHEMBL3177381 \| DTXSID90504986 \| KHWGHUZYXQPIKA-UHFFFAOYSA-N \| AKOS013533542 \| CS-W005890 \| PB28128 \| DS-15707 \| SY041614 \| A
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Aralkylamines Benzenoids Aryl bromides Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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

Pubchem Sid	504767181
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767181
IUPAC Name	8-bromo-1,2,3,4-tetrahydroisoquinoline
INCHI	InChI=1S/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKey	KHWGHUZYXQPIKA-UHFFFAOYSA-N
Smiles	C1CNCC2=C1C=CC=C2Br
Isomeric SMILES	C1CNCC2=C1C=CC=C2Br
Molecular Weight	212.09
Reaxy-Rn	4390895
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4390895&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B2306462	Certificate of Analysis	Nov 18, 2022	B194913
B2306474	Certificate of Analysis	Nov 18, 2022	B194913
B2306463	Certificate of Analysis	Nov 18, 2022	B194913
B2306475	Certificate of Analysis	Nov 18, 2022	B194913

Chemical and Physical Properties

Molecular Weight	212.090 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	211 Da
Monoisotopic Mass	211 Da
Topological Polar Surface Area	12.000 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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