4,5,6-trichloroguaiacol

2,3,4-Trichloro-6-methoxyphenol
2-Methoxy-4,5,6-trichlorophenol
Phenol, 2,3,4-trichloro-6-methoxy-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NIAJPNQTKGWEOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3
IUPAC name chemrof:IUPAC_name	2,3,4-Trichloro-6-methoxyphenol
Molecular formula chemrof:molecular_formula	C7H5Cl3O2
Molecular mass chemrof:molecular_mass	227.474
Monoisotopic mass chemrof:monoisotopic_mass	225.935512
SMILES string chemrof:smiles_string	COc1cc(Cl)c(Cl)c(Cl)c1O

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=2668-24-8	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00858745	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/39Q8MK30WF	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J344.893B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/17577	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81986167	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
192b9bb7-55a5-45fa-ab54-5db87df8c9e5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3d072cf3-7b9e-4fcd-8eca-7320b769af99	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ba8759fe-f6ae-4440-8cd4-b61948a7a300	Environmental → Air → Indoor	EF 3.1	kg	2
7571c025-308d-4092-9417-d1c8dcf5a5bd	Environmental → Air → Long-term	EF 3.1	kg	0
f544bc49-5704-4899-ba44-5326ccf30b6a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f8314c56-f165-4023-8f2e-01eda8487704	Environmental → Air → Unknown	EF 3.1	kg	2
7087f29f-f21b-4660-89af-59c550149c77	Environmental → Ground → Agricultural	EF 3.1	kg	2
c48f8b15-aaf1-48e4-8ed1-3319fae9dec1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
9c479a8d-bfbf-41d8-aa6e-1a4a7b37eab3	Environmental → Ground → Unknown	EF 3.1	kg	2
4bdcde35-775d-4ed3-b1d3-95d0f3c4e9b5	Environmental → Water → Long-term	EF 3.1	kg	0
7c86b1ed-73b6-4d51-a0e6-18eaebabb417	Environmental → Water → Ocean	EF 3.1	kg	2
299f2fd5-5f4d-41fc-bd39-4c4338a80638	Environmental → Water → Surface water	EF 3.1	kg	2
f1dc61c1-a3cc-419e-99dc-f80171770a78	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
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4,5,6-trichloroguaiacol

Identity

Structure

Alternative labels

Properties

Known URLs

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