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4-(3-Chlorophenyl)-2,6-diphenylpyrimidine - 98%, high purity , CAS No.1536209-87-6

COA

Grade & Purity:

≥98%

Cas Number: 1536209-87-6
Molecular Weight: 342.83
MDL number: MFCD29477687
PubChem CID: 118039713
PubChem SID: 488202639

In stock

Item Number

C405532

Grouped product items
SKU	Size	Availability	Price
C405532-1g	1g	3	$14.90
C405532-5g	5g	3	$48.90
C405532-25g	25g	3	$163.90

View related series

Halogenated heterocyclic block (1171) Pyrimidines (539)

Basic Description

Synonyms	SY237604 \| 4-(3-Chlorophenyl)-2,6-diphenylpyrimidine \| AMY37858 \| AS-65018 \| C3519 \| AKOS026673982 \| SB58229 \| 1536209-87-6 \| MFCD29477687 \| SCHEMBL16672414 \| W16759
Specifications & Purity	≥98%

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	Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	5-phenylpyrimidine - 4-phenylpyrimidine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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

Pubchem Sid	488202639
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202639
IUPAC Name	4-(3-chlorophenyl)-2,6-diphenylpyrimidine
INCHI	InChI=1S/C22H15ClN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
InChIKey	FDTRHTNHPKRWFG-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
Isomeric SMILES	C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
Molecular Weight	342.83
Reaxy-Rn	28181683
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28181683&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2202210	Certificate of Analysis	Sep 07, 2022	C405532
K2202462	Certificate of Analysis	Sep 07, 2022	C405532
K2202456	Certificate of Analysis	Sep 07, 2022	C405532

Chemical and Physical Properties

Melt Point(°C)	146 °C
Molecular Weight	342.800 g/mol
XLogP3	5.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	342.092 Da
Monoisotopic Mass	342.092 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	403.000
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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