Consensus flow list

Identity

Type
Neutral molecule
CAS
638-29-9
EC
211-330-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Pentanoyl Chloride

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XGISHOFUAFNYQF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
IUPAC name chemrof:IUPAC_name Pentanoyl Chloride
Molecular formula chemrof:molecular_formula C5H9ClO
Molecular mass chemrof:molecular_mass 120.579
Monoisotopic mass chemrof:monoisotopic_mass 120.034193
SMILES string chemrof:smiles_string CCCCC(=O)Cl

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=638-29-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.301 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034091 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1607711 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KJ3B4CY5GG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.576I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61186 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2502 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q48996224 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pentanoyl_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0f76d24a-5da3-48e7-b065-f8d430085b6b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
773b0823-703f-4c1f-a5be-70a7f32d95fc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dec67a15-8157-4d4d-aca4-b53969ac6122 Environmental → Air → Indoor EF 3.1 kg 2
24b4a4c0-5f5e-45d8-bde3-5170d8e08f06 Environmental → Air → Long-term EF 3.1 kg 0
8641e17e-f03a-4350-ac0e-5b99957e7253 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6fd8b278-c6fd-4ad2-9d8b-62179f798256 Environmental → Air → Unknown EF 3.1 kg 2
117a54c0-60ee-466a-8960-2d3716a0c546 Environmental → Ground → Agricultural EF 3.1 kg 2
65026d10-e5b1-467c-80f7-f645cdca8429 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8df4cdcb-e113-47da-a143-9a749881b554 Environmental → Ground → Unknown EF 3.1 kg 2
c59e83cb-4a42-4eb9-aa86-e797361d2ef1 Environmental → Water → Long-term EF 3.1 kg 0
735ab39a-dfd8-419d-8de9-bbad55480e16 Environmental → Water → Ocean EF 3.1 kg 2
23218740-aa6f-411d-8e10-91113957a38f Environmental → Water → Surface water EF 3.1 kg 2
f344ca72-658a-43f7-94f2-62f56c2a06b3 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-56c9da63ee0264c8",
  "prefLabel": [
    {
      "@value": "Pentanoyl Chloride",
      "@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": "n-Butanecarbonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Pentanoyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Valeryl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentanoic acid chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Valeroyl chloride",
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    },
    {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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