Consensus flow list

Identity

Type
Neutral molecule
CAS
1461-25-2
EC
215-960-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tetrabutyltin

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AFCAKJKUYFLYFK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
IUPAC name chemrof:IUPAC_name Tetrabutyltin
Molecular formula chemrof:molecular_formula C16H36Sn
Molecular mass chemrof:molecular_mass 347.175
Monoisotopic mass chemrof:monoisotopic_mass 348.183896
SMILES string chemrof:smiles_string CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

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=1461-25-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.510 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022153 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22330 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=28131 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65524 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QJ7Y5V377V enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2931.90.90.25 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.768J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102244877 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15098 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q425214 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetrabutyltin enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ea02e2f9-621a-4a51-a944-db98518407e6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6c5fcdca-210b-46b4-971a-78b4e374136a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bbf6b804-5ccb-4203-9d70-ebca03551341 Environmental → Air → Indoor EF 3.1 kg 4
141a26e4-f253-4b9c-a7b7-69b459e4290f Environmental → Air → Long-term EF 3.1 kg 0
86de02d6-920b-42fd-959d-a569e9ffc868 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dd3d59d7-2adf-4108-aea7-e219ff9ff223 Environmental → Air → Unknown EF 3.1 kg 4
32bbbd98-1285-4aa9-b7b9-403559f0954a Environmental → Ground → Agricultural EF 3.1 kg 4
204afd8d-1988-45aa-862b-f34963b1c7a6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3fae5659-be3f-44a2-8d0a-8a15b3da0740 Environmental → Ground → Unknown EF 3.1 kg 4
bf92de18-7111-4e5a-bc5c-ac5113f70678 Environmental → Water → Long-term EF 3.1 kg 0
d24d8092-ba74-42f0-8634-6d0a12a93f2d Environmental → Water → Ocean EF 3.1 kg 4
adf0b490-8630-476f-92b3-fdabff1abcc6 Environmental → Water → Surface water EF 3.1 kg 4
e2556266-85bb-4154-9610-49fe7d454ae5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1781097a59ca5315",
  "prefLabel": [
    {
      "@value": "Tetrabutyltin",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Stannane, tetrabutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetra-n-butylstannane",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetra-n-butyltin",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrabutylstannane",
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    },
    {
      "@value": "Tetrabutyltin(IV)",
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