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9-Bromo-10-(9-phenanthryl)anthracene - >98.0%(HPLC), high purity , CAS No.845457-53-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 845457-53-6
Molecular Weight: 433.35
MDL number: MFCD27939628
PubChem CID: 86031959
PubChem SID: 488202399

In stock

Item Number

B152588

Grouped product items
SKU	Size	Availability	Price
B152588-1g	1g	5	$482.90
B152588-5g	5g	2	$2,171.90
B152588-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9,772.90

View related series

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

Basic Description

Synonyms	9-Bromo-10-phenanthren-9-ylanthracene
Specifications & Purity	≥98%(HPLC)
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	Phenanthrenes and derivatives Anthracenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Arylnaphthalene lignan skeleton - Phenanthrene - 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	488202399
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202399
IUPAC Name	9-bromo-10-phenanthren-9-ylanthracene
INCHI	InChI=1S/C28H17Br/c29-28-24-15-7-5-13-22(24)27(23-14-6-8-16-25(23)28)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17H
InChIKey	OBIXPXSRUDGFLE-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
Isomeric SMILES	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
Molecular Weight	433.35
Reaxy-Rn	22292367
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22292367&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
J2115505	Certificate of Analysis	Jul 09, 2025	B152588
J2115526	Certificate of Analysis	Jul 09, 2025	B152588
J2115527	Certificate of Analysis	Jul 09, 2025	B152588

Chemical and Physical Properties

Melt Point(°C)	232 °C
Molecular Weight	433.300 g/mol
XLogP3	9.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	432.051 Da
Monoisotopic Mass	432.051 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	547.000
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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