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4-(Biphenyl-4-yl)-6-(4-bromophenyl)-2-phenylpyrimidine - >98.0%(HPLC), high purity , CAS No.1421599-34-9

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1421599-34-9
Molecular Weight: 463.38
PubChem CID: 89992073
PubChem SID: 504772557

In stock

Item Number

B152548

Grouped product items
SKU	Size	Availability	Price
B152548-200mg	200mg	3	$18.90
B152548-1g	1g	3	$72.90
B152548-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$357.90
B152548-25g	25g	2	$1,607.90

View related series

Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	SCHEMBL15502076 \| 4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine \| C28H19BrN2 \| AMY19634 \| DS-9924 \| 4-{[1,1'-BIPHENYL]-4-YL}-6-(4-BROMOPHENYL)-2-PHENYLPYRIMIDINE \| B4953 \| 4-(Biphenyl-4-yl)-6-(4-bromophenyl)-2-phenylpyrimidine \| 4-([1,1'-Bipheny
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	Phenylpyrimidines Biphenyls and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Biphenyl - 4-phenylpyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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	504772557
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772557
IUPAC Name	4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
INCHI	InChI=1S/C28H19BrN2/c29-25-17-15-23(16-18-25)27-19-26(30-28(31-27)24-9-5-2-6-10-24)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-19H
InChIKey	VSCGHXGRCSQGIE-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br
Isomeric SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br
Molecular Weight	463.38
Reaxy-Rn	30092406
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30092406&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
F2214434	Certificate of Analysis	Feb 26, 2022	B152548
F2214460	Certificate of Analysis	Feb 26, 2022	B152548
F2214436	Certificate of Analysis	Feb 26, 2022	B152548
F2214435	Certificate of Analysis	Feb 26, 2022	B152548

Chemical and Physical Properties

Melt Point(°C)	191 °C
Molecular Weight	463.400 g/mol
XLogP3	7.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	462.073 Da
Monoisotopic Mass	462.073 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	525.000
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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