Trichloroacetic Acid
fo-85f7969b8b904509
Identity
- Type
- Neutral molecule
- CAS
- 76-03-9
- EC
- 200-927-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
13- 2,2,2-Trichloroacetic acid
- Acetic acid, 2,2,2-trichloro-
- Acetic acid, trichloro-
- Aceto-Caustin
- Amchem Grass Killer
- MeSH ID: D014238
- TCA (acid)
- TCAA
- TKhU
- TKhUK
- trichloracetic acid
- Trichloressigsaeure
- trichloroethanoic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YNJBWRMUSHSURL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) |
| IUPAC name chemrof:IUPAC_name | Trichloroacetic Acid |
| Molecular formula chemrof:molecular_formula | C2HCl3O2 |
| Molecular mass chemrof:molecular_mass | 163.387 |
| Monoisotopic mass chemrof:monoisotopic_mass | 161.90421, 161.904212 |
| SMILES string chemrof:smiles_string | O=C(O)C(Cl)(Cl)Cl |
Known URLs
42Where 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=76-03-9 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/AJ7829B8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30956 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.844 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0586 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021378 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11152 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3627 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3627 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=215204 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77363 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14053 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:2842 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5V2JDO056X | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0042048 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.400G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11150 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D08633 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11150 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D08633 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49716 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-9675 | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL14053 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6421 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1839 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2564 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12573897 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16298895 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16815816 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16901594 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21269351 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21332915 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21457391 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21497335 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21523508 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21529453 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21549800 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21716542 | enrich_references.chebi_xrefs |
| reaxys | reaxys:970119 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q410116 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Trichloroacetic_Acid | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Trichloroacetic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f3387eeb-2db0-4a22-a984-d83fa6a26c95 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| 14984ca3-f1bc-4c69-b7d2-d915e9eff258 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 2d2387f4-4529-42ce-8322-22469da61316 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 08315c85-ee6b-4c25-9103-fc580f80df7a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fa27918c-d18a-4539-abee-3c05c664928d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| 6420537b-e094-49fb-b504-95f9a8f1e42e | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 8c601e55-88c1-4496-b9e7-efe845bf5118 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| d5326788-231c-45a0-9890-4a4e41d95680 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 48bc3767-c90b-4f5b-845e-e0bbdf56afa2 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 94f5972d-ffd6-4508-beab-7353add03264 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dda38a72-c05e-4db9-9bb9-f22ddaacd9a4 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 873e89ba-0241-478f-82ad-bd1c99e37b15 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 84e77d9e-f3ec-4004-8455-e0eccbfe7cfd | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works