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10-Bromo-10'-(2-naphthyl)-9,9'-bianthracene - >98.0%(HPLC)(T), high purity , CAS No.1172087-81-8

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 1172087-81-8
Molecular Weight: 559.51
MDL number: MFCD22987563
PubChem CID: 91972118
PubChem SID: 504772710

In stock

Item Number

B152591

Grouped product items
SKU	Size	Availability	Price	Qty
B152591-250mg	250mg	2	$193.90
B152591-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$596.90

View related series

Aryl halide (118) Small molecule semiconductor block (414)

Basic Description

Specifications & Purity	≥98%(HPLC)(T)
Shipped In	Normal

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	Anthracenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Arylnaphthalene lignan skeleton - Anthracene - Benzenoid - 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	504772710
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772710
IUPAC Name	9-bromo-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
INCHI	InChI=1S/C38H23Br/c39-38-33-19-9-7-17-31(33)37(32-18-8-10-20-34(32)38)36-29-15-5-3-13-27(29)35(28-14-4-6-16-30(28)36)26-22-21-24-11-1-2-12-25(24)23-26/h1-23H
InChIKey	OUMDUWOVDLPNDY-UHFFFAOYSA-N
Smiles	C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C=CC=CC7=C(C8=CC=CC=C86)Br
Isomeric SMILES	C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C=CC=CC7=C(C8=CC=CC=C86)Br
Molecular Weight	559.51
Reaxy-Rn	30035503
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30035503&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.

2 results found

Lot Number	Certificate Type	Date	Item
I2130182	Certificate of Analysis	Jul 10, 2025	B152591
I2130183	Certificate of Analysis	Jul 10, 2025	B152591

Chemical and Physical Properties

Molecular Weight	559.500 g/mol
XLogP3	12.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	558.098 Da
Monoisotopic Mass	558.098 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	787.000
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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