Consensus flow list

Identity

Type
Neutral molecule
CAS
1967-16-4
EC
217-815-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Chlorbufam

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ULBXWWGWDPVHAO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
IUPAC name chemrof:IUPAC_name 1-Butyn-3-yl m-chlorophenylcarbamate
Molecular formula chemrof:molecular_formula C11H10ClNO2
Molecular mass chemrof:molecular_mass 223.659
Monoisotopic mass chemrof:monoisotopic_mass 223.040006, 223.04001
SMILES string chemrof:smiles_string C#CC(C)OC(=O)Nc1cccc(Cl)c1

Known URLs

13

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=1967-16-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82186 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.197 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6041769 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1613685 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/65W9D7691G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.422I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19060 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19060 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123720 enrich_references.pubchem_identifier_url
ppdb ppdb:133 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16073 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155791 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d4015cc6-e198-4f45-a77e-a787d6270d1b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7bbbabe8-b36e-4b44-b318-e9b856849014 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
83f72163-04a4-4ae2-ac65-9cffd408a3a0 Environmental → Air → Indoor EF 3.1 kg 2
70433c4a-e0dc-4b4d-96e4-57d3737cfea4 Environmental → Air → Long-term EF 3.1 kg 0
3c911163-5534-489a-8501-d4287845d09a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f2946540-9d6e-459a-818e-688f7c677a60 Environmental → Air → Unknown EF 3.1 kg 2
82055ec4-858e-47aa-80cf-31d39f4dadbe Environmental → Ground → Agricultural EF 3.1 kg 2
63a4e185-25b7-4bac-ad94-431e449dd7d1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f7a62d9ed3bcbd25607efb1bbbff54bd844ca734 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
cc1bc784-7174-47c4-8ad4-14e5c49e3f2d Environmental → Ground → Unknown EF 3.1 kg 2
6036ad20-68a8-4f0a-a892-fe14e41acd19 Environmental → Water → Long-term EF 3.1 kg 0
095a3ade-3ae4-4576-9d6c-6cd10618e9a4 Environmental → Water → Ocean EF 3.1 kg 2
bdca1e65-9733-47a7-929e-169d747cb9b8 Environmental → Water → Surface water EF 3.1 kg 2
46ea0ff3-e865-4718-9afb-5130214b731b 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-8ed694d3d4c62333",
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      "@value": "Chlorbufam",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Butyn-3-yl m-chlorophenylcarbamate",
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      "@lang": "en",
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        ],
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    },
    {
      "@value": "1-Methyl-2-propynyl N-(3-chlorophenyl)carbamate",
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    },
    {
      "@value": "3-Butyn-2-yl m-chlorocarbanilate",
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    },
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