2,2',4,4'-Tetrabromodiphenyl ether - ≥97% , CAS No.5436-43-1

CAS: 5436-43-1 Cat. No.: O303946 Molecular Weight: 485.82 EC Number: 690-137-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
PBDE No. 47 | 98WI44OHIQ | PBDE-47 | SMR000568461 | XYBSIYMGXVUVGY-UHFFFAOYSA-N | UNII-U8HTX2GK8J | CAS-5436-43-1 | SCHEMBL899494 | PBDE No. 47 1000 microg/mL in Methanol | NSC21724 | 0N97R5X10X | 2,4-dibromo-1-(2,4-dibromophenoxy)benzene | BDE No 47, ana
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
O303946-50mg
3
$92.90
250mg
O303946-250mg
3
$270.90
1g
O303946-1g
3
$754.90
5g
O303946-5g
1
$2,416.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated 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.

📚

Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
PBDE No. 47 | 98WI44OHIQ | PBDE-47 | SMR000568461 | XYBSIYMGXVUVGY-UHFFFAOYSA-N | UNII-U8HTX2GK8J | CAS-5436-43-1 | SCHEMBL899494 | PBDE No. 47 1000 microg/mL in Methanol | NSC21724 | 0N97R5X10X | 2, 4-dibromo-1-(2, 4-dibromophenoxy)benzene | BDE No 47, ana
Specifications & Purity
≥97%
Storage
Room temperature, Desiccated
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504756255
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756255
Canonical SmilesC1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
IUPAC Name2,4-dibromo-1-(2,4-dibromophenoxy)benzene
InChIKeyXYBSIYMGXVUVGY-UHFFFAOYSA-N
INCHI1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
Isomeric SMILES C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
Molecular Weight 485.82
Reaxy-Rn 3356883
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3356883&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentBromodiphenyl ethers
Alternative Parents Diarylethers  Phenoxy compounds  Phenol ethers  Bromobenzenes  Aryl bromides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
External Descriptors PBDEs
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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.

7 results found

Lot NumberCertificate TypeDateItem
D2614011Certificate of AnalysisApr 22, 2026 O303946
C2616221Certificate of AnalysisMar 27, 2026 O303946
C2323772Certificate of AnalysisJan 19, 2026 O303946
C2323783Certificate of AnalysisJan 19, 2026 O303946
C2323793Certificate of AnalysisJan 19, 2026 O303946
C2323810Certificate of AnalysisJan 19, 2026 O303946
H2513036Certificate of AnalysisMar 04, 2023 O303946
Chemical and Physical Properties
Boil Point(°C)395.5°C at 760 mmHg
Molecular Weight485.790 g/mol
XLogP36.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass485.711 Da
Monoisotopic Mass481.715 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count17
Formal Charge0
Complexity227.000
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. Yingying Sun, Jie Chen, Wei Wang, Lizhong Zhu.  (2023)  α-Galactosidase interacts with persistent organic pollutants to induce oxidative stresses in rice (Oryza sativa L.).  ENVIRONMENTAL POLLUTION,      [PMID:37562527] [10.1016/j.envpol.2023.122353]
2. Cheng-Qiang Wang, Zou Su, Chun-Guang Dai, Jia-Le Song, Bo Qian.  (2023)  Multi-omics analysis reveals BDE47 induces depression-like behaviors in mice by interfering with the 2-arachidonoyl glycerol-associated microbiota-gut-brain axis.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:37224780] [10.1016/j.ecoenv.2023.115041]
3. Yao Ma, Haoliang Li, Chunsheng Xie, Xiaodong Du, Xueqin Tao, Guining Lu.  (2022)  Treatment of PBDEs from Soil-Washing Effluent by Granular-Activated Carbon: Adsorption Behavior, Influencing Factors and Density Functional Theory Calculation.  Processes,  10  (9): (1815).  [PMID:] [10.3390/pr10091815]
4. Junyao Yang, Kuang Wang, Chengjie Xue, Zhanqiang Fang.  (2025)  The mechanism of activity-controlled release of 2,2′,4,4′-tetrabromodiphenyl degradation by polystyrene microcapsulated nanoscale zero-valent iron.  ENVIRONMENTAL RESEARCH,      [PMID:39848518] [10.1016/j.envres.2025.120915]
5. Yinan Zhang, Bingyi Wang, Wenhui Sun, Lilai Shen, Zhiquan Liu, Binhao Wang, Jiafeng Ding, Yu Han, Hangjun Zhang.  (2025)  Environmentally relevant concentrations of nanoplastic increase the accumulation and endocrine effects of BDE47 and its metabolite 6-OH-BDE-47 in male frogs’ testes.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2025.10.023]
6. Yingying Lan, Xue Gao, Wenfeng Li, Bochu Wang, Long Xu, Minghui Li.  (2025)  Advanced understanding of the neurotoxicity of brominated flame retardants: integrating human neural organoids with multi-omics.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41297252] [10.1016/j.jhazmat.2025.140529]
Solution Calculators
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