Brightway Flows 1.0
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3-chlorobenzyl Alcohol

fo-ed1911169c65acf8

Identity

Type
Neutral molecule
CAS
873-63-2
EC
212-847-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-chlorobenzyl Alcohol

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZSRDNPVYGSFUMD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
IUPAC name chemrof:IUPAC_name 3-chlorobenzyl Alcohol
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 OCc1cccc(Cl)c1

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=873-63-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194665 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.679 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70236273 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CPF4FF63L8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.586G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70117 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72517380 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ca261061-e2be-4074-b5fc-01e8c4c47657 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fc2b7077-7d97-4b7d-9e53-37f699bcd1a9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e332e606-cea4-4537-9828-e909b63e1451 Environmental → Air → Indoor EF 3.1 kg 2
7adc96b1-34ff-4843-8e1a-9014474ddf1e Environmental → Air → Long-term EF 3.1 kg 0
20f4d2e3-8216-4cf4-a9e5-a39a7948135b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
899987f1-0180-4a1e-a3a0-a9564e6f1f69 Environmental → Air → Unknown EF 3.1 kg 2
fc4ceb3c-7148-4db6-bdd6-08bc375c8bd3 Environmental → Ground → Agricultural EF 3.1 kg 2
bb0e275d-6b74-4dcd-81e8-4ec92623ad5d Environmental → Ground → Non-agricultural EF 3.1 kg 2
5388e897-f367-4404-b1f3-0ca721659908 Environmental → Ground → Unknown EF 3.1 kg 2
b54a02ca-3ed9-465c-be7d-c1d99b7ed6e7 Environmental → Water → Long-term EF 3.1 kg 0
2b3b2ca5-c052-4cf5-8fd2-7dc1f6077e84 Environmental → Water → Ocean EF 3.1 kg 2
83e4378c-c5b4-431f-904b-d265460889e7 Environmental → Water → Surface water EF 3.1 kg 2
5e8209f0-3e66-4205-9f3d-950b9c953fdb 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-ed1911169c65acf8",
  "prefLabel": [
    {
      "@value": "3-chlorobenzyl Alcohol",
      "@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": "(3-Chlorophenyl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chlorobenzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 3-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:873-63-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, m-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Chlorobenzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=873-63-2"
        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C7H7ClO"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
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      "provenance": [
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
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          ]
        },
        {
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        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      ],
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      ],
      "attested_by": {
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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",
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
        "3-chlorobenzyl Alcohol": [
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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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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1=CC(=CC(=C1)Cl)CO"
          ]
        },
        {
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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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      ],
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      ],
      "attested_by": {
        "142.018543": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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      "provenance": {
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  "created_from": {
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    "semantic_typing": {
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  },
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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