Consensus flow list

Identity

Type
Neutral molecule
CAS
653-37-2
EC
211-502-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pentafluorobenzaldehyde

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QJXCFMJTJYCLFG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
IUPAC name chemrof:IUPAC_name Pentafluorobenzaldehyde
Molecular formula chemrof:molecular_formula C7HF5O
Molecular mass chemrof:molecular_mass 196.074
Monoisotopic mass chemrof:monoisotopic_mass 195.994756
SMILES string chemrof:smiles_string O=Cc1c(F)c(F)c(F)c(F)c1F

Known URLs

9

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=653-37-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.458 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022101 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=96967 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S9YIE3JZ4K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256257 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.942H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69558 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27289101 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d73cd409-cdd4-4350-bd40-337ab61bbdc9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f67dac8a-cd2b-4958-a27a-97b826aed858 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d3304e04-f076-4838-843d-134dd5cb4674 Environmental → Air → Indoor EF 3.1 kg 2
6a282886-f132-41c4-bc71-d0582ff89b2a Environmental → Air → Long-term EF 3.1 kg 0
6f1be5ac-cdd3-4db8-aa30-64fab8e8fcdc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a7b09bcc-c72c-45cb-b24a-e02566f1cb7b Environmental → Air → Unknown EF 3.1 kg 2
81bd34b6-1f80-4275-8999-ef3dc7fbb7bf Environmental → Ground → Agricultural EF 3.1 kg 2
d2695490-7b76-4dc6-8f45-b6f3e5549362 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a70b1d1c-7255-4171-b73b-eb60fdd67074 Environmental → Ground → Unknown EF 3.1 kg 2
e0c160b0-2776-48d0-aa1b-977bc305fcf6 Environmental → Water → Long-term EF 3.1 kg 0
fdf0f55d-fa97-4af6-b8f4-2cf3b85d63a0 Environmental → Water → Ocean EF 3.1 kg 2
68190fba-70d9-422e-b694-6c2d286e3a29 Environmental → Water → Surface water EF 3.1 kg 2
83e73dc1-f334-4819-8040-8d7e33fce356 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-2b942f7412777879",
  "prefLabel": [
    {
      "@value": "Pentafluorobenzaldehyde",
      "@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": "2,3,4,5,6-Pentafluorobenzaldehyde",
      "@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=653-37-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 2,3,4,5,6-pentafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=653-37-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, pentafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=653-37-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formylpentafluorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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      }
    },
    {
      "@value": "Perfluorobenzaldehyde",
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    },
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    },
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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