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2，4-Diamino-6-chloropyrimidine-5-carbonitrile - ≥97%, high purity , CAS No.900456-21-5

COA

Grade & Purity:

≥97%

Cas Number: 900456-21-5
MDL number: MFCD07761792
PubChem CID: 86708021

In stock

Item Number

D769850

Grouped product items
SKU	Size	Availability	Price
D769850-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$252.90
D769850-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
D769850-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$530.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Protected from light,Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads 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 Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Halopyrimidines
Alternative Parents	Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organochloride - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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	2,4-diamino-6-chloropyrimidine-5-carbonitrile
INCHI	InChI=1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11)
InChIKey	GHPANXXDQMHDBH-UHFFFAOYSA-N
Smiles	C(#N)C1=C(N=C(N=C1Cl)N)N
Isomeric SMILES	C(#N)C1=C(N=C(N=C1Cl)N)N
PubChem CID	86708021

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.570 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	169.016 Da
Monoisotopic Mass	169.016 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	187.000
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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