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2,2,2-trichloroethanol

fo-b3ebcbcb58739fa2

Identity

Type
Neutral molecule
CAS
115-20-8
EC
204-071-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2,2-trichloroethanol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KPWDGTGXUYRARH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
IUPAC name chemrof:IUPAC_name 2,2,2-trichloroethanol
Molecular formula chemrof:molecular_formula C2H3Cl3O
Molecular mass chemrof:molecular_mass 149.404
Monoisotopic mass chemrof:monoisotopic_mass 147.924948, 147.92495
SMILES string chemrof:smiles_string OCC(Cl)(Cl)Cl

Known URLs

19

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:1697495 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=115-20-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28094 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.701 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021950 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66407 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1171 enrich_references.pubchem_identifier_url
gmelin gmelin:2407 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AW835AJ62N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041796 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.895I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07490 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07490 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49540 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83510 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8259 enrich_references.pubchem_compound
umbbd.compound umbbd.compound:c0015 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4596742 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,2,2-Trichloroethanol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
278d2454-661f-4256-b835-bb6c4e7c76cf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e55d73a6-f91c-4d1f-9251-907407d4a324 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fb6ece0a-17d6-41b9-9912-e7c9d34dbe17 Environmental → Air → Indoor EF 3.1 kg 2
7ccbecaa-d286-4de5-b72a-0c3048de86e0 Environmental → Air → Long-term EF 3.1 kg 0
99037923-73fc-4533-b11b-2fe6295b5336 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bb8ee21b-9c71-485d-85ae-8cb0b4a22527 Environmental → Air → Unknown EF 3.1 kg 2
33f7534e-4395-4e4c-b383-afca02a82b7a Environmental → Ground → Agricultural EF 3.1 kg 2
a00e56f5-e1d2-4c1c-9248-4564af41314a Environmental → Ground → Non-agricultural EF 3.1 kg 2
19f75e48-7cb4-4559-9c90-892fb782b960 Environmental → Ground → Unknown EF 3.1 kg 2
31f2d37f-4083-415a-a253-9b3f6fc7e14f Environmental → Water → Long-term EF 3.1 kg 0
859b2142-a6d4-4e72-8c12-bf38e924faa2 Environmental → Water → Ocean EF 3.1 kg 2
bb856808-909b-485e-bfca-be09af1993b9 Environmental → Water → Surface water EF 3.1 kg 2
71735316-c78c-486b-bbda-3c9d480d971f 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 
{
  "flow_object_id": "fo-b3ebcbcb58739fa2",
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  "altLabel": [
    {
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    },
    {
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    {
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}

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