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4,6-dichloropyrimidine-2-carbonitrile - 97%, high purity , CAS No.1451391-83-5

COA

Grade & Purity:

≥97%

Cas Number: 1451391-83-5
Molecular Weight: 173.99
MDL number: MFCD09607724
PubChem CID: 76848181

In stock

Item Number

D629301

Grouped product items
SKU	Size	Availability	Price
D629301-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D629301-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
D629301-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90
D629301-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$723.90

Basic Description

Synonyms	4,6-dichloropyrimidine-2-carbonitrile \| 1451391-83-5 \| 2-Cyano-4,6-dichloropyrimidine \| MFCD09607724 \| SCHEMBL24091481 \| AKOS027365551 \| SB57654 \| DS-13147 \| SY261135 \| EN300-119537 \| A909402
Specifications & Purity	≥97%
Shipped In	Normal

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	Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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	4,6-dichloropyrimidine-2-carbonitrile
INCHI	InChI=1S/C5HCl2N3/c6-3-1-4(7)10-5(2-8)9-3/h1H
InChIKey	CWTRWPGRAQQDOY-UHFFFAOYSA-N
Smiles	C1=C(N=C(N=C1Cl)C#N)Cl
Isomeric SMILES	C1=C(N=C(N=C1Cl)C#N)Cl
PubChem CID	76848181
Molecular Weight	173.99

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
H2414114	Certificate of Analysis	Apr 11, 2024	D629301

Chemical and Physical Properties

Molecular Weight	173.980 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.955 Da
Monoisotopic Mass	172.955 Da
Topological Polar Surface Area	49.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	154.000
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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