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2-(4-Nitro-2-(trifluoromethyl)phenyl)-1，2，3，4-tetrahydroisoquinoline - ≥95%, high purity , CAS No.914348-89-3

COA

Grade & Purity:

≥95%

Cas Number: 914348-89-3
Molecular Weight: 322.29
PubChem CID: 45036829

In stock

Item Number

P732278

Grouped product items
SKU	Size	Availability	Price	Qty
P732278-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90
P732278-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90

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	Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Trifluoromethylbenzene - Tetrahydroisoquinoline - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Organic cation - 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

IUPAC Name	2-[4-nitro-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
INCHI	InChI=1S/C16H13F3N2O2/c17-16(18,19)14-9-13(21(22)23)5-6-15(14)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2
InChIKey	ZODVADWLYRCYCU-UHFFFAOYSA-N
Smiles	C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES	C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F
PubChem CID	45036829
Molecular Weight	322.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	322.280 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	322.093 Da
Monoisotopic Mass	322.093 Da
Topological Polar Surface Area	49.100 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	438.000
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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