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2-Chloro-4-ethynylpyrimidine - ≥97%, high purity , CAS No.37968-69-7

COA

Grade & Purity:

≥97%

Cas Number: 37968-69-7
EC Number: 878-042-1
PubChem CID: 45080366

In stock

Item Number

C732405

Grouped product items
SKU	Size	Availability	Price	Qty
C732405-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$828.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Halopyrimidines
        Level6 2-halopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Halopyrimidines
Direct Parent	2-halopyrimidines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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-chloro-4-ethynylpyrimidine
INCHI	InChI=1S/C6H3ClN2/c1-2-5-3-4-8-6(7)9-5/h1,3-4H
InChIKey	VXDNUKMWRNCQLT-UHFFFAOYSA-N
Smiles	C#CC1=NC(=NC=C1)Cl
Isomeric SMILES	C#CC1=NC(=NC=C1)Cl
Alternate CAS	37968-69-7
PubChem CID	45080366

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	138.550 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.998 Da
Monoisotopic Mass	137.998 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137.000
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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