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4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine - 95%, high purity , CAS No.1780-80-9

COA

Grade & Purity:

≥95%

Cas Number: 1780-80-9
Molecular Weight: 222.6
PubChem CID: 243766

In stock

Item Number

C182185

Grouped product items
SKU	Size	Availability	Price	Qty
C182185-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
C182185-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$643.90

Discover 4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine by Aladdin Scientific in 95% for only $193.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine \| 1780-80-9 \| 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)- \| 4-Chloro-6-(trifluoromethyl)-1H-pyrazolo(3,4-d)pyrimidine \| SNIVBXKAXKSWQE-UHFFFAOYSA-N \| NSC53928 \| DTXSID40288047 \| MFCD09999248 \| NSC
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[3,4-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[3,4-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[3,4-d]pyrimidines
Alternative Parents	Halopyrimidines Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[3,4-d]pyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
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	4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
INCHI	InChI=1S/C6H2ClF3N4/c7-3-2-1-11-14-4(2)13-5(12-3)6(8,9)10/h1H,(H,11,12,13,14)
InChIKey	SNIVBXKAXKSWQE-UHFFFAOYSA-N
Smiles	C1=NNC2=C1C(=NC(=N2)C(F)(F)F)Cl
Isomeric SMILES	C1=NNC2=C1C(=NC(=N2)C(F)(F)F)Cl
Molecular Weight	222.6
Reaxy-Rn	529657
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=529657&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	222.550 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	221.992 Da
Monoisotopic Mass	221.992 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224.000
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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