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4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine - 95%, high purity , CAS No.659729-09-6

COA

Grade & Purity:

≥95%

Cas Number: 659729-09-6
Molecular Weight: 258.63
PubChem CID: 16747837

In stock

Item Number

C194441

Grouped product items
SKU	Size	Availability	Price	Qty
C194441-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
C194441-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90

Discover 4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine by Aladdin Scientific in 95% for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine \| 659729-09-6 \| 4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine \| 4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine \| Pyrimidine, 4-chloro-6-[4-(trifluoromethyl)phenyl]- \| 4-chloro-6-(4-(trifluoromethyl)-phenyl)pyri
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	Phenylpyrimidines
Alternative Parents	Trifluoromethylbenzenes Halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylpyrimidine - 5-phenylpyrimidine - Trifluoromethylbenzene - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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	4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine
INCHI	InChI=1S/C11H6ClF3N2/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)11(13,14)15/h1-6H
InChIKey	RYYMGPDAXCLXSL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC(=NC=N2)Cl)C(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1C2=CC(=NC=N2)Cl)C(F)(F)F
Molecular Weight	258.63
Reaxy-Rn	11106775
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11106775&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	258.620 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	258.017 Da
Monoisotopic Mass	258.017 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	252.000
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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