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7-Chloro-2-ethyl-5-methyl[1，2，4]triazolo-[1，5-a]pyrimidine - ≥95%, high purity , CAS No.28565-42-6

COA

Grade & Purity:

≥95%

Cas Number: 28565-42-6
MDL number: MFCD13811403
PubChem CID: 30033447

In stock

Item Number

C769612

Grouped product items
SKU	Size	Availability	Price
C769612-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$554.90
C769612-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,282.90
C769612-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,437.90

Basic Description

Specifications & Purity	≥95%
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 Triazolopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazolopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Triazolopyrimidines
Alternative Parents	Halopyrimidines Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Triazolopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
INCHI	InChI=1S/C8H9ClN4/c1-3-7-11-8-10-5(2)4-6(9)13(8)12-7/h4H,3H2,1-2H3
InChIKey	RAYACWRGKMUCCP-UHFFFAOYSA-N
Smiles	CCC1=NN2C(=CC(=NC2=N1)C)Cl
Isomeric SMILES	CCC1=NN2C(=CC(=NC2=N1)C)Cl
PubChem CID	30033447

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.640 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	196.052 Da
Monoisotopic Mass	196.052 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189.000
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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