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5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine - 97%, high purity , CAS No.1211586-58-1

COA

Grade & Purity:

≥97%

Cas Number: 1211586-58-1
Molecular Weight: 261.43
PubChem CID: 22934874

In stock

Item Number

B627424

Grouped product items
SKU	Size	Availability	Price
B627424-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
B627424-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90
B627424-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$711.90
B627424-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,281.90

Basic Description

Synonyms	5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine \| 1211586-58-1 \| SCHEMBL938476 \| MFCD26517002 \| PB39900 \| E73511
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 Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organofluoride - 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	5-bromo-4-chloro-2-(trifluoromethyl)pyrimidine
INCHI	InChI=1S/C5HBrClF3N2/c6-2-1-11-4(5(8,9)10)12-3(2)7/h1H
InChIKey	BCRNREZBLNQCLX-UHFFFAOYSA-N
Smiles	C1=C(C(=NC(=N1)C(F)(F)F)Cl)Br
Isomeric SMILES	C1=C(C(=NC(=N1)C(F)(F)F)Cl)Br
PubChem CID	22934874
Molecular Weight	261.43

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.430 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	259.896 Da
Monoisotopic Mass	259.896 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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