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1-chlorobutane

fo-62dadd94367c9a65

Identity

Type
Neutral molecule
CAS
109-69-3
EC
203-696-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-chlorobutane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VFWCMGCRMGJXDK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
IUPAC name chemrof:IUPAC_name 1-chlorobutane
Molecular formula chemrof:molecular_formula C4H9Cl
Molecular mass chemrof:molecular_mass 92.569
Monoisotopic mass chemrof:monoisotopic_mass 92.039278
SMILES string chemrof:smiles_string CCCCCl

Known URLs

18

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=109-69-3 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25154-42-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.361 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0703 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020206 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11534 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/5584 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8419 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL47259 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZP7R667SGD enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243848 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.435J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152701 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C81519 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8005 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1127 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q161608 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Chlorobutane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f214d53e-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-9c64-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
9ab06589-990e-4103-b17d-3b5bff24795f Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-9c63-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c65-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-9c62-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
f214d53c-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
f214d53f-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f214d541-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
f214d543-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f214d540-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
f214d53d-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
f214d542-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-62dadd94367c9a65",
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    {
      "@value": "1-chlorobutane",
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  "altLabel": [
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    {
      "@value": "Butane, 1-chloro-",
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    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "109-69-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=109-69-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=109-69-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-696-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-696-6"
      ],
      "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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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