Consensus flow list

Identity

Type
NeutralMolecule
CAS
541-28-6
EC
208-773-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-iodo-3-methylbutane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BUZZUHJODKQYTF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 1-iodo-3-methylbutane
Molecular formula chemrof:molecular_formula C5H11I
Molecular mass chemrof:molecular_mass 198.047
Monoisotopic mass chemrof:monoisotopic_mass 197.990548
SMILES string chemrof:smiles_string CC(C)CCI

Known URLs

7

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=541-28-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.977 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8060246 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E1E5DU187L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.392D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10924 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q24716059 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ead5b28f-aea2-4678-9dd9-1bffb355f990 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1ef94564-cdea-4f5a-9f34-cb88068317e4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1d3d6035-5f85-44cf-9d1f-93edc8603e3c Environmental → Air → Indoor EF 3.1 kg 2
fa73a7c9-0294-4bd6-ab8f-581cacf74269 Environmental → Air → Long-term EF 3.1 kg 0
37830d70-4328-4976-b472-f297d719b6b0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4994716a-badc-4a68-82a4-2590cf82549e Environmental → Air → Unknown EF 3.1 kg 2
6b9bb255-c4e4-4f75-8917-365b5f2de945 Environmental → Ground → Agricultural EF 3.1 kg 2
d530d842-f0b4-40dd-afb7-ba8771ee4f79 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f2f45dd7-4b83-406a-b0cf-214987ee21a0 Environmental → Ground → Unknown EF 3.1 kg 2
dae956b1-1100-4898-a411-bdd340837f84 Environmental → Water → Long-term EF 3.1 kg 0
017b15a2-2041-4483-87f5-71aad75f8132 Environmental → Water → Ocean EF 3.1 kg 2
98267061-e7c8-4dc2-ab42-cfbc4307a521 Environmental → Water → Surface water EF 3.1 kg 2
b03e7b7c-8f94-4804-b55d-09a8ab8aac90 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-44224efcdd672457",
  "prefLabel": [
    {
      "@value": "1-iodo-3-methylbutane",
      "@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": "3-Methyl-1-iodobutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:541-28-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methylbutyliodide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:541-28-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Iodo-2-methylbutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butane, 1-iodo-3-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:541-28-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=541-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iso-Amyliodide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=541-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isoamyl iodide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopentyl iodide",
      "@language": "en",
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      "provenance": {
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        ],
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    "https://w3id.org/chemrof/smiles_string": {
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "017b15a2-2041-4483-87f5-71aad75f8132",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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