Consensus flow list

Identity

Type
Neutral molecule
CAS
873-76-7
EC
212-852-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-chlorobenzylic Alcohol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PTHGDVCPCZKZKR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
IUPAC name chemrof:IUPAC_name 1-Chloro-4-(hydroxymethyl)benzene
Molecular formula chemrof:molecular_formula C7H7ClO
Molecular mass chemrof:molecular_mass 142.585
Monoisotopic mass chemrof:monoisotopic_mass 142.018543
SMILES string chemrof:smiles_string OCc1ccc(Cl)cc1

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=873-76-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.684 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7073937 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5286 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1224554 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GF8BS53B6V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.587E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13397 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279073 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bcee818f-9bb0-4233-9776-933ecf3f5b78 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7a2612ea-f3b5-4ff0-8f8c-8b27240c30b0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d099962a-3a99-4c1f-b834-29f8e2c8bbe6 Environmental → Air → Indoor EF 3.1 kg 2
1f163cfd-c582-4777-b11e-3b9601c4e6f6 Environmental → Air → Long-term EF 3.1 kg 0
634393ed-e78c-4e60-b806-2d27edcc0c04 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cd1781cf-1701-43e9-a0be-c0ddde31d927 Environmental → Air → Unknown EF 3.1 kg 2
83dfec65-cb3f-49a5-aaa1-63073af0d237 Environmental → Ground → Agricultural EF 3.1 kg 2
68b96d83-a514-449d-81ab-58f59abbd5bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
07f2a03e-1741-4f0e-ba1d-0dc057731971 Environmental → Ground → Unknown EF 3.1 kg 2
1cb916c6-85f1-4533-9e46-b1b7f4c2c1ee Environmental → Water → Long-term EF 3.1 kg 0
b72dfd96-33f8-4674-b052-b9ce7802e829 Environmental → Water → Ocean EF 3.1 kg 2
f1ecd7e5-8404-448a-9d40-98c8051830c6 Environmental → Water → Surface water EF 3.1 kg 2
cd0b1bfc-7a32-46f0-93fb-88cd9af62c88 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-9ea858bfad4fb53d",
  "prefLabel": [
    {
      "@value": "4-chlorobenzylic Alcohol",
      "@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": "1-Chloro-4-(hydroxymethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-76-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorobenzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-76-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorobenzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-76-7",
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          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorophenylmethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:873-76-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 4-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, p-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=873-76-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorobenzyl alcohol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorotoluol",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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      ],
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      "rdfs:label": "InChI",
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}

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