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4,6-dichloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine - 97%, high purity , CAS No.1379308-33-4

COA

Grade & Purity:

≥97%

Cas Number: 1379308-33-4
Molecular Weight: 314.9
PubChem CID: 92133582

In stock

Item Number

D628750

Grouped product items
SKU	Size	Availability	Price
D628750-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$144.90
D628750-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90
D628750-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$672.90

Basic Description

Synonyms	4,6-Dichloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine \| 1379308-33-4 \| 4,6-dichloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine \| SCHEMBL21653677 \| MFCD20258005 \| C11286
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolopyrimidines
Alternative Parents	2-halopyrimidines Hydropyrimidines Pyrazoles Heteroaromatic compounds Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Hydrazones Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolopyrimidine - 2-halopyrimidine - Halopyrimidine - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
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	4,6-dichloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
INCHI	InChI=1S/C5HCl2IN4/c6-2-1-3(8)11-12-4(1)10-5(7)9-2/h(H,9,10,11,12)
InChIKey	MXISZHQCUXIBDL-UHFFFAOYSA-N
Smiles	C12=C(NN=C1N=C(N=C2Cl)Cl)I
Isomeric SMILES	C12=C(NN=C1N=C(N=C2Cl)Cl)I
PubChem CID	92133582
Molecular Weight	314.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	314.900 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	313.862 Da
Monoisotopic Mass	313.862 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183.000
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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