Consensus flow list

Identity

Type
Neutral molecule
CAS
96-34-4
EC
202-501-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methyl Chloroacetate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QABLOFMHHSOFRJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
IUPAC name chemrof:IUPAC_name Methyl Chloroacetate
Molecular formula chemrof:molecular_formula C3H5ClO2
Molecular mass chemrof:molecular_mass 108.524
Monoisotopic mass chemrof:monoisotopic_mass 107.997807
SMILES string chemrof:smiles_string COC(=O)CCl

Known URLs

10

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=96-34-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.275 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1410 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041576 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2635 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/450VSB182I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.968C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7295 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2295 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q188382 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d3d81152-7802-4ced-b97d-248921d67ab4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
67311e38-cadc-46a4-963b-210b7273335d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
21878edc-baae-41d2-83e4-ad786208b377 Environmental → Air → Indoor EF 3.1 kg 4
1286e4b7-81fa-48d8-aa7d-b82679fa1ae7 Environmental → Air → Long-term EF 3.1 kg 0
0c6a93ac-97d7-4bdd-a539-2f870ec4e8ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dcd41642-fc28-42f1-92d1-428abd2a2f38 Environmental → Air → Unknown EF 3.1 kg 4
9f367d86-c3e1-4c79-b343-bf769c4edb22 Environmental → Ground → Agricultural EF 3.1 kg 4
9ece179c-a62e-48d9-be55-ba605bf7c7f3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e708b432-1202-4e28-af9b-f585dca1ad9d Environmental → Ground → Unknown EF 3.1 kg 4
7f13e1db-7b90-45fb-ab4d-04e47f472499 Environmental → Water → Long-term EF 3.1 kg 0
9035c0c1-0cd0-42d9-b3d8-41444dc76d37 Environmental → Water → Ocean EF 3.1 kg 4
9a2d0b4b-ee15-46f6-a030-8e283fdb5fc0 Environmental → Water → Surface water EF 3.1 kg 4
23796c29-e5b6-418f-8c33-8d10c7f57356 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b03d6212880120b5",
  "prefLabel": [
    {
      "@value": "Methyl Chloroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chloroacetic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, 2-chloro-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, chloro-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloroacetic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 2-chloroacetate",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl monochloracetate",
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    {
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    },
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      "@value": "Methyl α-chloroacetate",
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    {
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