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2,2-dichloroacetamide

fo-f3113d0f83138390

Identity

Type
Neutral molecule
CAS
683-72-7
EC
211-674-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2-dichloroacetamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WCGGWVOVFQNRRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)
IUPAC name chemrof:IUPAC_name 2,2-dichloroacetamide
Molecular formula chemrof:molecular_formula C2H3Cl2NO
Molecular mass chemrof:molecular_mass 127.958
Monoisotopic mass chemrof:monoisotopic_mass 126.959169
SMILES string chemrof:smiles_string NC(=O)C(Cl)Cl

Known URLs

11

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=683-72-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.614 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021561 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=402025 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL156653 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I202LTA03D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.454E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123645 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12694 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q5272474 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dichloroacetamide enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
02dd1b5c-49e0-4aeb-a563-8b330e2ee43b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
98c33b38-ab47-42be-924e-2aa5ff6b7369 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6cb06a01-e991-40bf-86db-42e3e9061861 Environmental → Air → Indoor EF 3.1 kg 2
bb8bf52d-1d37-41d0-8c1e-6dcca2b4b012 Environmental → Air → Long-term EF 3.1 kg 0
cbb6ead4-111a-443e-b64c-48289b982572 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0c1f934e-bc65-4658-b535-aff907b53b6e Environmental → Air → Unknown EF 3.1 kg 2
4eaa50df-6b07-413a-abb0-76e9e696d1fa Environmental → Ground → Agricultural EF 3.1 kg 2
5f87ec7f-311e-45bb-8afa-fe4ca0c8ea5e Environmental → Ground → Non-agricultural EF 3.1 kg 2
c9bc3aea-abf1-4794-a32e-85400ea186e3 Environmental → Ground → Unknown EF 3.1 kg 2
cc14aa5e-03b0-4d02-88e1-a9a84a5b3ee7 Environmental → Water → Long-term EF 3.1 kg 0
e5336d5b-8a0a-4ea9-970a-51d561746a82 Environmental → Water → Ocean EF 3.1 kg 2
67438cbf-6f22-481f-85c1-6272af3532d1 Environmental → Water → Surface water EF 3.1 kg 2
39b71fd9-93ae-414c-9994-fe9c351af403 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f3113d0f83138390",
  "prefLabel": [
    {
      "@value": "2,2-dichloroacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetamide, 2,2-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=683-72-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichloroacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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      "@value": [
        "C2H3Cl2NO"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "WCGGWVOVFQNRRS-UHFFFAOYSA-N"
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      "attested_by": {
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    },
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        },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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      ],
      "provenance": [
        {
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      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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    },
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    },
    {
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    },
    {
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "02dd1b5c-49e0-4aeb-a563-8b330e2ee43b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      ],
      "provenance": {
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  "classifications": {
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  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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