Consensus flow list

Identity

Type
NeutralMolecule
CAS
79-00-5
EC
201-166-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
70 across every transformer

Structure

Structure diagram for 1,1,2-trichloroethane

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UBOXGVDOUJQMTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
IUPAC name chemrof:IUPAC_name 1,1,2-trichloroethane, 1,1,2-tris(chloranyl)ethane
Molecular formula chemrof:molecular_formula C2H3Cl3
Molecular mass chemrof:molecular_mass 133.405
Monoisotopic mass chemrof:monoisotopic_mass 131.93003, 131.930033
SMILES string chemrof:smiles_string ClCC(Cl)Cl

Known URLs

23

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=79-00-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/KJ3010B0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36018 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.061 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0080 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021380 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=405074 enrich_references.pubchem_identifier_url
gmelin gmelin:239897 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/28E9ERN9WU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244041 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.962C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19536 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19536 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55256 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6574 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20665324 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22375547 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23046725 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23990262 enrich_references.chebi_xrefs
reaxys reaxys:1731726 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161280 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,1,2-Trichloroethane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb04c3-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
fe0acd60-3ddc-11dd-a324-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
1838179f-8a64-4383-b3ea-d0be4af2a990 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a323-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
fe0acd60-3ddc-11dd-a325-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
08a91e70-3ddc-11dd-9304-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
08a91e70-3ddc-11dd-9302-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a329-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
08a91e70-3ddc-11dd-9303-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a327-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9f0b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-a326-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a328-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (70 changes)

Open the changes page

Full record

Flow object JSON
{
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