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ethyl 4-chloro-5-iodo-pyrimidine-2-carboxylate - 97%, high purity , CAS No.1989671-82-0

COA

Grade & Purity:

≥97%

Cas Number: 1989671-82-0
Molecular Weight: 312.49
EC Number: 828-160-4
PubChem CID: 122164455

In stock

Item Number

E631345

Grouped product items
SKU	Size	Availability	Price
E631345-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
E631345-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
E631345-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90
E631345-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,201.90

Basic Description

Synonyms	F88449 \| 1989671-82-0 \| PS-18748 \| ethyl4-chloro-5-iodopyrimidine-2-carboxylate \| EN300-306430 \| C7H6ClIN2O2 \| ethyl 4-chloro-5-iodo-pyrimidine-2-carboxylate \| ethyl 4-chloro-5-iodopyrimidine-2-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Halopyrimidines Aryl iodides Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-2-carboxylic acid - Halopyrimidine - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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	ethyl 4-chloro-5-iodopyrimidine-2-carboxylate
INCHI	InChI=1S/C7H6ClIN2O2/c1-2-13-7(12)6-10-3-4(9)5(8)11-6/h3H,2H2,1H3
InChIKey	QUAPDPAOEQXMRF-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC=C(C(=N1)Cl)I
Isomeric SMILES	CCOC(=O)C1=NC=C(C(=N1)Cl)I
Alternate CAS	1989671-82-0
PubChem CID	122164455
Molecular Weight	312.49

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.490 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	311.916 Da
Monoisotopic Mass	311.916 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193.000
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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