Consensus flow list

Identity

Type
Neutral molecule
CAS
105-39-5
EC
203-294-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl Chloroacetate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VEUUMBGHMNQHGO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name Ethyl Chloroacetate
Molecular formula chemrof:molecular_formula C4H7ClO2
Molecular mass chemrof:molecular_mass 122.551
Monoisotopic mass chemrof:monoisotopic_mass 122.013457
SMILES string chemrof:smiles_string CCOC(=O)CCl

Known URLs

12

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=105-39-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.995 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1081 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026715 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8833 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186148 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6H07TEH4TF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.313A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7751 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1181 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424825 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_chloroacetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
89990318-de6c-4f82-abb9-63d256da50be Environmental → Air → Aircraft cruise height EF 3.1 kg 2
45be7d0e-7d47-4040-ba33-581b27dbf7eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0491c946-854a-4301-8dd8-31d58a635f65 Environmental → Air → Indoor EF 3.1 kg 2
e0871fa1-ab7b-441e-bd73-d52fe088655e Environmental → Air → Long-term EF 3.1 kg 0
eac7d002-d4df-449e-9d40-922f43e4372e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4e87f4ba-a712-49e8-8389-f6e9e9eb9fe9 Environmental → Air → Unknown EF 3.1 kg 2
88fd8c39-639f-4f1d-a5a9-47855c0af9ad Environmental → Ground → Agricultural EF 3.1 kg 2
70bb7a1f-52a7-41c6-9058-e869e4138a1d Environmental → Ground → Non-agricultural EF 3.1 kg 2
7ed489fb-d121-41ad-bb97-d3ef4a493778 Environmental → Ground → Unknown EF 3.1 kg 2
90b0d7b8-0f58-4f36-8f5d-a3f9e576cafa Environmental → Water → Long-term EF 3.1 kg 0
4b0d58e9-8cb5-4a31-9f4f-a687ce3424d7 Environmental → Water → Ocean EF 3.1 kg 2
f100985f-6d2e-4113-8cb4-f86936430ad3 Environmental → Water → Surface water EF 3.1 kg 2
141475ce-3abd-4d3a-b768-f62c6bb350df 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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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-294-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-294-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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