2,3,3',4,4'-pentachlorodiphenylether

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PKEGIXYNAGGYPN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H5Cl5O/c13-7-2-1-6(5-9(7)15)18-10-4-3-8(14)11(16)12(10)17/h1-5H
IUPAC name chemrof:IUPAC_name	1,2,3-trichloro-4-(3,4-dichlorophenoxy)benzene, 1-[3,4-bis(chloranyl)phenoxy]-2,3,4-tris(chloranyl)benzene
Molecular formula chemrof:molecular_formula	C12H5Cl5O
Molecular mass chemrof:molecular_mass	342.436
Monoisotopic mass chemrof:monoisotopic_mass	339.878303
SMILES string chemrof:smiles_string	C1=CC(=C(C=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=85918-31-6	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90235243	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B5JEN0XNBV	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J772.320B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/92412	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27274396	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
de8e5e4f-f4d5-4fd9-be19-071f0aacc3e7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
12ebff5f-19c7-471e-9e2e-724b8980f4ea	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
526ce745-664f-4b83-ae49-f5a7ae4891fb	Environmental → Air → Indoor	EF 3.1	kg	2
d3d8e066-2fe6-4512-ac6c-c5114dcb1cbf	Environmental → Air → Long-term	EF 3.1	kg	0
01ba2418-93d7-4668-b572-715465332775	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ea6455c7-324b-4ab7-9386-90f189b01ddd	Environmental → Air → Unknown	EF 3.1	kg	2
ae8602fe-7e2f-4d7a-a2da-6af842e9cd41	Environmental → Ground → Agricultural	EF 3.1	kg	2
1195e6cb-afde-492e-861b-1124e1326059	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
832645ee-8c19-4fe2-9534-c92ad06e33a2	Environmental → Ground → Unknown	EF 3.1	kg	2
c0dfdbfd-2137-4da8-a20d-fb6517a6388a	Environmental → Water → Long-term	EF 3.1	kg	0
4caf87f3-1f19-41bd-816f-e96456b17ed2	Environmental → Water → Ocean	EF 3.1	kg	2
6e6a1552-a652-45f5-8202-8205387dc7b0	Environmental → Water → Surface water	EF 3.1	kg	2
b43880f8-dbb8-4d2e-adb1-4a1131fabdae	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (51 changes)

Open the changes page

Flow object JSON

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}

2,3,3',4,4'-pentachlorodiphenylether

Identity

Structure

Properties

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Elementary flows

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