Consensus flow list

Identity

Type
Neutral molecule
CAS
3091-25-6
EC
221-435-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trichloro(octyl)stannane

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string INTLMJZQCBRQAT-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3
IUPAC name chemrof:IUPAC_name Trichloro(octyl)stannane
Molecular formula chemrof:molecular_formula C8H17Cl3Sn
Molecular mass chemrof:molecular_mass 338.294
Monoisotopic mass chemrof:monoisotopic_mass 337.941778
SMILES string chemrof:smiles_string CCCCCCC[CH2][Sn]([Cl])([Cl])[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=3091-25-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.487 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3029659 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=297508 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D5LF90P46Q enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76538 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=413128 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27276130 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
725c3b83-2695-4a20-a181-9767d8eff8c8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2aa7806c-5c82-434e-803d-d6d40cb0008c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
81072f5d-2a7b-41bb-959a-2aa939d418d4 Environmental → Air → Indoor EF 3.1 kg 4
55fdc5a1-e350-4064-a6d9-031716c4e4fd Environmental → Air → Long-term EF 3.1 kg 0
b3e7fd81-389f-4f59-8a16-297fa6642143 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
181ee5c0-6387-4501-8aa0-17d00a644a74 Environmental → Air → Unknown EF 3.1 kg 4
132a9a57-59b1-4be5-ad62-0b7cd1fe2dbf Environmental → Ground → Agricultural EF 3.1 kg 4
f71728b4-4d2e-434b-b5eb-0d7b382cc268 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d25fd6a2-c21c-4262-99ea-aacc16f5b375 Environmental → Ground → Unknown EF 3.1 kg 4
892409ef-5ba6-4052-a592-2d9cd4795b31 Environmental → Water → Long-term EF 3.1 kg 0
c8a4dfbb-baf7-4d1c-8c64-d714ac445b1e Environmental → Water → Ocean EF 3.1 kg 4
d571c823-6f7e-4af6-86c5-f18d011fa0c8 Environmental → Water → Surface water EF 3.1 kg 4
ab6365f2-b965-4ae4-a6fc-bd2ac03b33ab 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-9ccf9a2db936cbc7",
  "prefLabel": [
    {
      "@value": "Trichloro(octyl)stannane",
      "@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": "Mono-n-octyltin trichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=3091-25-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monooctyltin trichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Octyltin trichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Octyltrichlorostannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octyltin trichloride",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Octyltrichlorostannane",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Stannane, trichlorooctyl-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Tin, trichlorooctyl-",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Trichloro-n-octylstannane",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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}

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