3,4-dichlorophenol

4,5-Dichlorophenol
Phenol, 3,4-dichloro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	WDNBURPWRNALGP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
IUPAC name chemrof:IUPAC_name	3,4-dichlorophenol
Molecular formula chemrof:molecular_formula	C6H4Cl2O
Molecular mass chemrof:molecular_mass	163.003
Monoisotopic mass chemrof:monoisotopic_mass	161.96392
SMILES string chemrof:smiles_string	Oc1ccc(Cl)c(Cl)c1

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=95-77-2	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34323	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.228	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7025005	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60648	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1549385	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/070FTM6DVF	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246027	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.571H	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14462	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14462	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7258	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2020	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27115989	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/3,4-Dichlorophenol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
42921664-57b0-48e3-9c03-75f1cd400cd9	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a16714dd-7fe4-4e9d-8aa7-6ef3a52c1dff	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
61639657-e03f-4008-949f-111892aff7b7	Environmental → Air → Indoor	EF 3.1	kg	2
67710244-cfa7-4abd-a9e1-0f5e9d57cad0	Environmental → Air → Long-term	EF 3.1	kg	0
4b9a7465-3cd4-4f6d-9497-748cd48bc96b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7cb65300-c5df-404d-adb2-25133cd7e6a5	Environmental → Air → Unknown	EF 3.1	kg	2
4d0aee28-a72d-4bbc-b653-5a1cf0bfb1d5	Environmental → Ground → Agricultural	EF 3.1	kg	2
8119e378-8572-4aaf-9d5c-d37c35f85b4a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
f97743a7-5874-4437-a49b-c0bdeb81d8f6	Environmental → Ground → Unknown	EF 3.1	kg	2
568416f2-c798-4835-a615-58e6ce480eee	Environmental → Water → Long-term	EF 3.1	kg	0
6d6d78cc-fd35-4dbe-9526-9af1a379a5eb	Environmental → Water → Ocean	EF 3.1	kg	2
370ec5c9-b704-4732-82f1-5de9815fe4b0	Environmental → Water → Surface water	EF 3.1	kg	2
f21720b5-14f0-4bf1-a961-bd7202612120	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-93486881337c8faf",
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3,4-dichlorophenol

Identity

Structure

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Elementary flows

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