Brightway Flows 1.0
GitHub

4-chlorobenzaldehyde

fo-5362aa7105cc7474

Identity

Type
Neutral molecule
CAS
104-88-1
EC
203-247-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-chlorobenzaldehyde

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AVPYQKSLYISFPO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
IUPAC name chemrof:IUPAC_name 4-chlorobenzaldehyde
Molecular formula chemrof:molecular_formula C7H5ClO
Molecular mass chemrof:molecular_mass 140.569
Monoisotopic mass chemrof:monoisotopic_mass 140.00289, 140.002892
SMILES string chemrof:smiles_string O=Cc1ccc(Cl)cc1

Known URLs

4

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=104-88-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28105 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C06648 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0418 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
64cc077d-99b3-4542-af7e-29ba34bbe290 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
24cf5b07-ef9b-487c-bf35-5642d604f50b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
445b49f2-6248-4a2d-a49e-6aa1ded431dd Environmental → Air → Indoor EF 3.1 kg 2
b8c03fb4-3dd9-4b53-9037-b900e0de5ac1 Environmental → Air → Long-term EF 3.1 kg 0
9c694279-683e-4d5f-bf52-0af88ab833f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
05e2b8b4-0158-4fbd-8155-eb888882b236 Environmental → Air → Unknown EF 3.1 kg 2
0f511ac6-e517-4382-aa17-1ef71b58ff46 Environmental → Ground → Agricultural EF 3.1 kg 2
10aebabc-67da-4e44-a67c-86d493626369 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9cc0d606-b29e-48a3-a95a-8f7bc976a0ff Environmental → Ground → Unknown EF 3.1 kg 2
855f4d31-e03e-4a58-b395-5e0c95b65695 Environmental → Water → Long-term EF 3.1 kg 0
9de6557f-b30a-4aa1-abb3-8f51a8fed5a1 Environmental → Water → Ocean EF 3.1 kg 2
eec46e50-fbd5-4563-9b75-6d01d82c8548 Environmental → Water → Surface water EF 3.1 kg 2
27485124-f702-48bc-a767-7a2963e66ff1 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-5362aa7105cc7474",
  "prefLabel": [
    {
      "@value": "4-chlorobenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-4-formylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:104-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-chloranylbenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28105"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Formylphenyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:104-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 4-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:104-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, p-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:104-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorobenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorobenzenecarboxaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorophenylaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=104-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "para-Chlorobenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
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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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      "attested_by": {
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      "@value": [
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      ],
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "@value": [
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      ],
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      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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      "attested_by": {
        "4-chlorobenzaldehyde": [
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  },
  "references": [
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  },
  "classifications": {
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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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