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5-bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine - 97%, high purity , CAS No.1240622-62-1

COA

Grade & Purity:

≥97%

Cas Number: 1240622-62-1
Molecular Weight: 295.87
PubChem CID: 72183180

In stock

Item Number

B627667

Grouped product items
SKU	Size	Availability	Price
B627667-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
B627667-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
B627667-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$320.90

Basic Description

Synonyms	SY308206 \| DTXSID10858670 \| 5-Bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine \| SB60607 \| C71950 \| 1240622-62-1 \| AMY15641 \| MFCD16988387 \| C5BrCl2F3N2 \| Pyrimidine, 5-bromo-2,4-dichloro-6-(trifluoromethyl)- \| AKOS022176332 \| AS-69270 \| XKQALTZZYLOATN-UH
Specifications & Purity	≥97%
Shipped In	Normal

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 Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - 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	5-bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine
INCHI	InChI=1S/C5BrCl2F3N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7
InChIKey	XKQALTZZYLOATN-UHFFFAOYSA-N
Smiles	C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)Br
Isomeric SMILES	C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)Br
Alternate CAS	1240622-62-1
PubChem CID	72183180
Molecular Weight	295.87

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	295.870 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	293.857 Da
Monoisotopic Mass	293.857 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191.000
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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