4'-Bromobenzo-18-crown 6-Ether - ≥95%(GC) , CAS No.75460-28-5

CAS: 75460-28-5 Cat. No.: B137027 Molecular Weight: 391.26 EC Number: 678-065-5
AVAILABLE TO ORDER
GRADE & PURITY ≥95%(GC)
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,
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B137027-250mg
4

$51.90

$77.90
Save $26.00 (33.38%)
1g
B137027-1g
3

$71.90

$107.90
Save $36.00 (33.36%)
5g
B137027-5g
2

$269.90

$404.90
Save $135.00 (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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)
Storage
Room temperature
Shipped In
Normal
Purity
≥95%(GC)
Names and Identifiers
Pubchem Sid488192520
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192520
Canonical SmilesC1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
IUPAC Name20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
InChIKeyXHHZIFBFFGIFNI-UHFFFAOYSA-N
INCHI1S/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
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentAlkyl aryl ethers
Alternative Parents Benzenoids  Aryl bromides  Oxacyclic compounds  Dialkyl ethers  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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 NumberCertificate TypeDateItem
C23101062Certificate of AnalysisDec 17, 2024 B137027
C23101076Certificate of AnalysisDec 17, 2024 B137027
C2310973Certificate of AnalysisDec 11, 2024 B137027
Chemical and Physical Properties
Melt Point(°C)80 °C
Molecular Weight391.250 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass390.068 Da
Monoisotopic Mass390.068 Da
Topological Polar Surface Area55.400 Ų
Heavy Atom Count23
Formal Charge0
Complexity294.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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,      [PMID:] [10.1016/j.snb.2025.137442]
Solution Calculators
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