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4'-Bromobenzo-18-crown 6-Ether - ≥95.0%(GC), high purity , CAS No.75460-28-5

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4'-Bromobenzo-18-crown 6-Ether - ≥95.0%(GC), high purity , CAS No.75460-28-5

1 Citations

COA

Grade & Purity:

≥95%(GC)

Cas Number: 75460-28-5
Molecular Weight: 391.26
MDL number: MFCD00143200
PubChem CID: 2734267
PubChem SID: 488192520

In stock

Item Number

B137027

Grouped product items
SKU	Size	Availability	Price
B137027-250mg	250mg	3	$30.90
B137027-1g	1g	4	$95.90
B137027-5g	5g	2	$342.90

View related series

Chelate / complex (112) Material synthetic block (276)

Basic Description

Synonyms	YSZC2693 \| 4'-BROMOBENZO-18-CROWN-6 \| 4-Bromobenzo-18-crown-6 \| HMS2518L24 \| MFCD00143200 \| T71303 \| B2181 \| SCHEMBL7740319 \| DTXSID70370186 \| 18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine \| 18-Bromo-2,3,5,6,8,9,
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Alkyl aryl ethers
Alternative Parents	Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
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

Associated Targets(Human)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488192520
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192520
IUPAC Name	20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
INCHI	InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2
InChIKey	XHHZIFBFFGIFNI-UHFFFAOYSA-N
Smiles	C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
Isomeric SMILES	C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
Molecular Weight	391.26
Reaxy-Rn	4818529
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4818529&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.

3 results found

Lot Number	Certificate Type	Date	Item
C23101062	Certificate of Analysis	Dec 17, 2024	B137027
C23101076	Certificate of Analysis	Dec 17, 2024	B137027
C2310973	Certificate of Analysis	Dec 11, 2024	B137027

Chemical and Physical Properties

Melt Point(°C)	80 °C
Molecular Weight	391.250 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	390.068 Da
Monoisotopic Mass	390.068 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	294.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiaojing Chen, Quan Tao, Siwei Yang, Hang Wang, Xuelian Wang, Guqiao Ding, Xiumin Gao, Hui Dong, Liangliang Rong. (2025) K+ concentration-based NMR-fluorescence dual-functional senescence sensing using graphene quantum dots with crown ether structure. SENSORS AND ACTUATORS B-CHEMICAL, 431 (137442).

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