Bis(4-bromophenyl) ether - CAS 2050-47-7

Name: Bis(4-bromophenyl) ether
Brand: BOC Sciences
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Catalog:	BB016017
Product Name:	Bis(4-bromophenyl) ether
CAS:	2050-47-7
Synonyms:	1-bromo-4-(4-bromophenoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-(4-bromophenoxy)benzene
Description:	Bis(4-bromophenyl) ether (CAS# 2050-47-7) is a polybrominated di-Ph ether (PBDE), which is a flame retardant often incorporated into many polymers. PBDEs are an environmental pollutant that exhibit potential health risks to humans and wildlife.
Molecular Weight:	328.00
Molecular Formula:	C12H8Br2O
Canonical SMILES:	C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br
InChI:	InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChI Key:	YAWIAFUBXXPJMQ-UHFFFAOYSA-N
Boiling Point:	355-360 °C
Density:	1.413 g/cm³
MDL:	MFCD00000095
LogP:	5.00390

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Related Functional Groups

Halides

[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[111-85-3]C8H17Cl
1-Chlorooctane
[452-76-6]C7H6F2
2,4-Difluorotoluene
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[24550-39-8]C14H11ClO2
3-[(4-Chlorobenzyl)oxy]benzaldehyde

Publication Number	Title	Priority Date
CN-113307727-A	Piezochromic tetraphenyl vinyl compound and preparation method and application thereof	20210526
CN-113130855-A	Surface passivation composition and passivation solution of metal lithium and preparation method of passivation solution	20210412
CN-113008720-A	Method for determining purity of 4-bromodiphenyl ether	20210219
CN-113009011-A	4,4' -dibromodiphenyl ether purity standard substance and preparation method thereof	20210219
CN-113030297-A	2,2',4,4' -tetrabromodiphenyl ether solution standard substance in methanol and preparation method thereof	20210219

PMID	Publication Date	Title	Journal
26109219	20151101	Characterization of the molecular degradation mechanism of diphenyl ethers by Cupriavidus sp. WS	Environmental science and pollution research international
22682894	20121101	Debrominated, hydroxylated and methoxylated metabolism in maize (Zea mays L.) exposed to lesser polybrominated diphenyl ethers (PBDEs)	Chemosphere
22417763	20120615	Metabolism of polybrominated diphenyl ethers and tetrabromobisphenol A by fish liver subcellular fractions in vitro	Aquatic toxicology (Amsterdam, Netherlands)
22245059	20120401	Aerobic degradation of tetrabromobisphenol-A by microbes in river sediment	Chemosphere
22036552	20120201	Bioaccumulation, depuration and biotransformation of 4,4'-dibromodiphenyl ether in crucian carp (Carassius auratus)	Chemosphere

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	327.89214
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	325.89419
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1