Consensus flow list

Identity

Type
NeutralMolecule
CAS
108-70-3
EC
203-608-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3,5-trichlorobenzene

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XKEFYDZQGKAQCN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
IUPAC name chemrof:IUPAC_name 1,3,5-trichlorobenzene
Molecular formula chemrof:molecular_formula C6H3Cl3
Molecular mass chemrof:molecular_mass 181.449
Monoisotopic mass chemrof:monoisotopic_mass 179.93003, 179.930033
SMILES string chemrof:smiles_string Clc1cc(Cl)cc(Cl)c1

Known URLs

21

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
beilstein beilstein:1635233 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=108-70-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49916 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.281 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0344 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026195 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03836 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB03836 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4389 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44228 enrich_references.pubchem_identifier_url
gmelin gmelin:601358 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2HS4M0BX3C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.427I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143644 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TCZ enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL44228 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7950 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/18442064 enrich_references.chebi_xrefs
reaxys reaxys:1635233 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2031856 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3,5-Trichlorobenzene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f214ae2a-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e22fc8c2-42cb-4027-bcd4-4c54861200e9 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc0-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fc2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fbf-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-915b-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc6-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fbe-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fc7-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc3-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fc5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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