3,4,5-trichloro-2-methoxyphenol

3,4,5-Trichloroguaiacol
Phenol, 3,4,5-trichloro-2-methoxy-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RKEHLKXRUVUBJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5Cl3O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3
IUPAC name chemrof:IUPAC_name	3,4,5-trichloro-2-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	COc1c(O)cc(Cl)c(Cl)c1Cl

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=57057-83-7	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7052232	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CKU7F6F2ED	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J86.604K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/42115	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81976710	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
74545c40-e5e3-4259-9502-b7acf053f736	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
de51afd7-35b4-4796-8c4f-959759262135	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2956a0c4-bb15-4403-afdf-dc9c6e1b569e	Environmental → Air → Indoor	EF 3.1	kg	2
a56a261b-fc7a-4cb3-9cd0-82808d1c5b21	Environmental → Air → Long-term	EF 3.1	kg	0
340c8fef-d76b-42bc-b074-7dc0a021f7cf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
dcc0e040-2f02-421d-945a-4805a9f8d203	Environmental → Air → Unknown	EF 3.1	kg	2
2c2406c3-7bf9-439d-9642-f9f34d8a44f3	Environmental → Ground → Agricultural	EF 3.1	kg	2
2db7bffb-4d61-4710-a4f6-e4c7dd552006	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c691d529-f3eb-43ad-9949-db7cfa5992a7	Environmental → Ground → Unknown	EF 3.1	kg	2
2f73d33b-1fa7-40fa-8d96-268b08a11d10	Environmental → Water → Long-term	EF 3.1	kg	0
b5c26a8b-7a63-43e8-aa61-a988852c4e53	Environmental → Water → Ocean	EF 3.1	kg	2
ec5f798b-6c97-4cd1-bfef-9d7c4e76a703	Environmental → Water → Surface water	EF 3.1	kg	2
fcbf7ca7-b447-475f-bef9-654da6155994	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

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Flow object JSON

{
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3,4,5-trichloro-2-methoxyphenol

Identity

Structure

Alternative labels

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