2,2',4,4',5-pentabromodiphenyl ether (Q412017)

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chemical compound

• PentaBDE
• Penta-BDE
• PeBDE
• PBDPO
• BDE 99
• PBDE 99

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Language	Label	Description	Also known as
English	2,2',4,4',5-pentabromodiphenyl ether	chemical compound	PentaBDE Penta-BDE PeBDE PBDPO BDE 99 PBDE 99

Statements

instance of

type of chemical entity

0 references

subclass of

pentabromodiphenyl ether

0 references

chemical structure

BDE-99.svg
396 × 226; 18 KB

0 references

mass

559.6257252800001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₅Br₅O

1 reference

stated in

PubChem

PubChem CID

36159

language of work or name

English

title

PBDE 99 (English)

retrieved

19 November 2016

canonical SMILES

C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br

1 reference

stated in

PubChem

PubChem CID

36159

language of work or name

English

title

PBDE 99 (English)

retrieved

19 November 2016

Identifiers

InChI

InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H

1 reference

stated in

PubChem

PubChem CID

36159

language of work or name

English

title

PBDE 99 (English)

retrieved

19 November 2016

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

36159

language of work or name

English

title

PBDE 99 (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

60348-60-9

2 references

stated in

Global Substance Registration System

UNII

D3A2T91I1E

language of work or name

English

title

2,2',4,4',5-pentabromodiphenyl ether (English)

retrieved

19 November 2016

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=60348-60-9

ChemSpider ID

33255

1 reference

stated in

ChemSpider

ChemSpider ID

33255

language of work or name

English

title

2,2′,4,4′,5-Pentabromodiphenyl ether (English)

retrieved

19 November 2016

PubChem CID

36159

2 references

stated in

PubChem

PubChem CID

36159

language of work or name

English

title

PBDE 99 (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

ChEBI ID

81582

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL374400

language of work or name

English

title

CHEMBL374400 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H

ChEMBL ID

CHEMBL374400

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL374400

language of work or name

English

title

CHEMBL374400 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL14938654

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

UniChem compound ID

383538

1 reference

stated in

UniChem

ZVG number

24350

reason for deprecated rank

applies to other chemical entity

intended subject of deprecated statement

pentabromodiphenyl ether

0 references

DSSTox substance ID

DTXSID9030048

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID404246

0 references

Human Metabolome Database ID

HMDB0037516

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

UNII

D3A2T91I1E

2 references

stated in

Global Substance Registration System

UNII

D3A2T91I1E

language of work or name

English

title

2,2',4,4',5-pentabromodiphenyl ether (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

WHPVYXDFIXRKLN-UHFFFAOYSA-N

KEGG ID

C18203

1 reference

stated in

ChEBI

ChEBI ID

81582

language of work or name

English

title

2,2',4,4',5-Pentabromodiphenyl ether (English)

retrieved

9 October 2016

Freebase ID

/m/0284vnv

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

KBpedia ID

PentabromodiphenylEther

1 reference

stated in

KBpedia

retrieved

9 July 2020

 

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