Consensus flow list

Identity

Type
Neutral molecule
CAS
2528-61-2
EC
219-775-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Heptanoyl Chloride

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UCVODTZQZHMTPN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
IUPAC name chemrof:IUPAC_name Heptanoyl Chloride
Molecular formula chemrof:molecular_formula C7H13ClO
Molecular mass chemrof:molecular_mass 148.633
Monoisotopic mass chemrof:monoisotopic_mass 148.065493
SMILES string chemrof:smiles_string CCCCCCC(=O)Cl

Known URLs

8

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=2528-61-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.978 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8062496 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z2P33BJ4B5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.639B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17313 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q48996231 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Heptanoyl_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
85440e26-213e-418c-9aa1-044c8b14db6c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
77065adc-25f3-4c2e-9465-a6822e9f989d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5207bb1a-d6dc-49cc-9af4-54f2aabade67 Environmental → Air → Indoor EF 3.1 kg 2
3501fb21-1606-4135-bbfc-6a25ac6372cc Environmental → Air → Long-term EF 3.1 kg 0
27dda5b2-eb08-47e3-819e-cd8dfe8b1dac Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b7cd2e0f-bf75-4f24-8f64-dd33101a1022 Environmental → Air → Unknown EF 3.1 kg 2
d96fa777-8fc3-44df-817d-9db20ab5b759 Environmental → Ground → Agricultural EF 3.1 kg 2
77aacc02-44ac-46ed-aab9-5025287571be Environmental → Ground → Non-agricultural EF 3.1 kg 2
ba189c7e-ad0e-41a5-9214-9ab727ba7f19 Environmental → Ground → Unknown EF 3.1 kg 2
844c407c-f2f9-49ed-b58c-54dea02516b6 Environmental → Water → Long-term EF 3.1 kg 0
3744427e-ec60-4df5-a404-a1c57946b906 Environmental → Water → Ocean EF 3.1 kg 2
f81eebe9-c672-4d51-b4eb-2e6a5ce95892 Environmental → Water → Surface water EF 3.1 kg 2
918abf66-9dd3-4163-b1c1-97ba3c04d405 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-c65037f99596a466",
  "prefLabel": [
    {
      "@value": "Heptanoyl 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": "Enanthoyl chloride",
      "@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=2528-61-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enanthyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2528-61-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heptanoic acid chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Heptanoyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@value": [
        "C7H13ClO"
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      "attested_by": {
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      },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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}

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