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2-(4,6-Dichloro-2-methylpyrimidin-5-yl)acetaldehyde - 95%, high purity , CAS No.474656-37-6

COA

Grade & Purity:

≥95%

Cas Number: 474656-37-6
Molecular Weight: 205.04
PubChem CID: 56773423

In stock

Item Number

D193511

Grouped product items
SKU	Size	Availability	Price	Qty
D193511-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
D193511-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$806.90

Basic Description

Synonyms	2-(4,6-Dichloro-2-methylpyrimidin-5-yl)acetaldehyde \| 474656-37-6 \| 2-(4,6-Dichloro-2-methylpyrimidin-5-yl)-acetaldehyde \| SCHEMBL4948936 \| DTXSID20718296 \| MFCD19105244 \| AKOS015851251 \| SB59014 \| AS-30690 \| FT-0731293 \| (4,6-dichloro-2-methylpyrimidin-5-yl)acetaldehyde
Specifications & Purity	≥95%
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 Alpha-hydrogen aldehydes Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Aryl chloride - Aryl halide - Alpha-hydrogen aldehyde - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - 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-(4,6-dichloro-2-methylpyrimidin-5-yl)acetaldehyde
INCHI	InChI=1S/C7H6Cl2N2O/c1-4-10-6(8)5(2-3-12)7(9)11-4/h3H,2H2,1H3
InChIKey	KULBLNIRDCOBGT-UHFFFAOYSA-N
Smiles	CC1=NC(=C(C(=N1)Cl)CC=O)Cl
Isomeric SMILES	CC1=NC(=C(C(=N1)Cl)CC=O)Cl
Molecular Weight	205.04
Reaxy-Rn	26594576
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26594576&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.040 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.986 Da
Monoisotopic Mass	203.986 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155.000
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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