Consensus flow list

Identity

Type
Neutral molecule
CAS
95-95-4
EC
202-467-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,4,5-trichlorophenol

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LHJGJYXLEPZJPM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
IUPAC name chemrof:IUPAC_name 2,4,5-trichlorophenol
Molecular formula chemrof:molecular_formula C6H3Cl3O
Molecular mass chemrof:molecular_mass 197.448
Monoisotopic mass chemrof:monoisotopic_mass 195.924948, 195.92495
SMILES string chemrof:smiles_string Oc1cc(Cl)c(Cl)cc1Cl

Known URLs

25

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=95-95-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28520 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.244 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0879 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4024359 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2266 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL109095 enrich_references.pubchem_identifier_url
gmelin gmelin:102425 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32526637PN enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2908.19.20.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.574B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07101 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07101 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51747 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TC7 enrich_references.chebi_xrefs
ppdb ppdb:963 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7271 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2020 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24078273 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24361703 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24410196 enrich_references.chebi_xrefs
reaxys reaxys:607569 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0362 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209173 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4,5-Trichlorophenol enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e2fb5303-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa4a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
18c05f3f-90fe-450e-8461-48f96015f6bf Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa49-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aa4b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa48-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa46-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa4f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a40246f7338811f602d9d145cc93a331da61554a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-aa47-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa4d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aa50-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa4c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa4e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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