Consensus flow list

Identity

Type
Neutral molecule
CAS
111-36-4
EC
203-862-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Butyl Isocyanate

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HNHVTXYLRVGMHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
IUPAC name chemrof:IUPAC_name Butyl Isocyanate
Molecular formula chemrof:molecular_formula C5H9NO
Molecular mass chemrof:molecular_mass 99.133
Monoisotopic mass chemrof:monoisotopic_mass 99.06841, 99.068414
SMILES string chemrof:smiles_string CCCCN=C=O

Known URLs

19

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=111-36-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25067-04-3 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136519 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.512 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1642 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6026872 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL27104 enrich_references.pubchem_identifier_url
gmelin gmelin:662892 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XM89T89J3W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.974H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66900 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8110 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2485 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16091349 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25532938 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6821040 enrich_references.chebi_xrefs
reaxys reaxys:773917 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632798 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butyl_isocyanate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f3709759-a3ae-452e-9c2e-cd3e7a434f2f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1669f9f7-0218-4604-a528-d67efe2a95ba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
96196cc9-dfcc-4f94-8117-5bbe08054d1c Environmental → Air → Indoor EF 3.1 kg 2
5fafdb48-6cff-4b14-855b-f77b7c265f93 Environmental → Air → Long-term EF 3.1 kg 0
a97c36a8-d6dc-4836-ab2c-5a372df2bb72 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d320682f-6f98-4c86-b1a8-2e66e8c960e6 Environmental → Air → Unknown EF 3.1 kg 2
da8ae9ea-1bf8-4e54-a61c-565bb6052056 Environmental → Ground → Agricultural EF 3.1 kg 2
61a53b8a-4b70-4be6-9d64-390c8ee836d8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
46056f2a-5827-4cd5-9b75-cbafae95a222 Environmental → Ground → Unknown EF 3.1 kg 2
8a3489c7-6d6e-4f77-bf96-591266477dca Environmental → Water → Long-term EF 3.1 kg 0
06819997-1e95-49b0-af0e-e211c2990f4d Environmental → Water → Ocean EF 3.1 kg 2
e3247453-dd61-4115-bf7c-991afc1716d2 Environmental → Water → Surface water EF 3.1 kg 2
3556c061-3b08-4365-ad0a-93397ac21197 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-22cd59e2157d7d1b",
  "prefLabel": [
    {
      "@value": "Butyl Isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Butyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-isocyanatobutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "BIC",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Butane, 1-isocyanato-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, butyl ester",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "N-Butyl isocyanate",
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