Brightway Flows 1.0
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2,3,4-trichloroanisole

fo-f521677b3c250513

Identity

Type
Neutral molecule
CAS
54135-80-7
EC
258-990-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,3,4-trichloroanisole

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FRQUNVLMWIYOLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
IUPAC name chemrof:IUPAC_name 2,3,4-trichloroanisole
Molecular formula chemrof:molecular_formula C7H5Cl3O
Molecular mass chemrof:molecular_mass 211.475
Monoisotopic mass chemrof:monoisotopic_mass 209.940598
SMILES string chemrof:smiles_string COc1ccc(Cl)c(Cl)c1Cl

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=54135-80-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.610 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10202477 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FT5R63843S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J209.016C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41017 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q83075752 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9bd8d14d-294e-430c-854e-259f958ef5cf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b9601e36-f674-4b87-a4ad-e137d040eed8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a3318584-1bf5-4231-9051-ab37f7a18147 Environmental → Air → Indoor EF 3.1 kg 2
34b558e0-0f23-4d79-918b-92958567e646 Environmental → Air → Long-term EF 3.1 kg 0
78d1b2cc-5d40-44cd-8f6a-d273d50dea44 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
01a9132a-0688-4653-ac70-d50da26dfceb Environmental → Air → Unknown EF 3.1 kg 2
f145a133-0933-47a4-ba98-da40dde1f60e Environmental → Ground → Agricultural EF 3.1 kg 2
aece3e32-368f-49e3-8307-b1b749387468 Environmental → Ground → Non-agricultural EF 3.1 kg 2
619d1121-222e-4042-8234-27385415d88a Environmental → Ground → Unknown EF 3.1 kg 2
ad3d2970-5529-498b-bd16-83c0aba8c0c4 Environmental → Water → Long-term EF 3.1 kg 0
07eaae2d-6d18-4e3c-b8da-85990bd54b5d Environmental → Water → Ocean EF 3.1 kg 2
5f7922d9-2a87-4557-81fe-39a60296644b Environmental → Water → Surface water EF 3.1 kg 2
19289d02-3dfd-454a-ba2a-8432af00dd56 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f521677b3c250513",
  "prefLabel": [
    {
      "@value": "2,3,4-trichloroanisole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Trichloro-4-methoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "1-Methoxy-2,3,4-trichlorobenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,4-Trichloroanisol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2,3-trichloro-4-methoxy-",
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      "provenance": {
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  "properties": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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      },
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    }
  },
  "references": [
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  "created_from": {
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}

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