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9-Bromo-10-[3-(2-naphthyl)phenyl]anthracene - >98%(HPLC), high purity , CAS No.944801-33-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 944801-33-6
Molecular Weight: 459.39
PubChem CID: 59523782
PubChem SID: 488201993

In stock

Item Number

B290638

Grouped product items
SKU	Size	Availability	Price
B290638-250mg	250mg	3	$58.90
B290638-1g	1g	3	$175.90
B290638-5g	5g	2	$695.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lignans, neolignans and related compounds
  - Class Arylnaphthalene lignans

Kingdom	Organic compounds
Superclass	Lignans, neolignans and related compounds
Class	Arylnaphthalene lignans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Arylnaphthalene lignans
Alternative Parents	Phenylnaphthalenes Anthracenes Benzene and substituted derivatives Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Arylnaphthalene lignan skeleton - Phenylnaphthalene - Anthracene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
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	488201993
IUPAC Name	9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
INCHI	InChI=1S/C30H19Br/c31-30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19H
InChIKey	XFKJCQNYVLAQMP-UHFFFAOYSA-N
Smiles	C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
Isomeric SMILES	C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
Molecular Weight	459.39
Reaxy-Rn	15517556
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15517556&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
C2210453	Certificate of Analysis	Dec 18, 2024	B290638
C2210547	Certificate of Analysis	Dec 18, 2024	B290638
C2210452	Certificate of Analysis	Dec 18, 2024	B290638

Chemical and Physical Properties

Melt Point(°C)	195 °C
Molecular Weight	459.400 g/mol
XLogP3	9.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	458.067 Da
Monoisotopic Mass	458.067 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	575.000
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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