Consensus flow list

Identity

Type
NeutralMolecule
CAS
5216-25-1
EC
226-009-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-chloro-4-(trichloromethyl)benzene

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LVZPKYYPPLUECL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
IUPAC name chemrof:IUPAC_name 1-chloro-4-(trichloromethyl)benzene
Molecular formula chemrof:molecular_formula C7H4Cl4
Molecular mass chemrof:molecular_mass 229.921
Monoisotopic mass chemrof:monoisotopic_mass 227.906711
SMILES string chemrof:smiles_string Clc1ccc(C(Cl)(Cl)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=5216-25-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.645 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027593 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2137820 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1UP9GJU33S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.180B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21277 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1760 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22338118 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4f4bb1f4-7ca8-486c-89dc-2d0ebc189488 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6cde1893-8f2b-4256-a2f7-04008f863c92 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0ac7755b-4d21-42ec-b7a7-b5239510d341 Environmental → Air → Indoor EF 3.1 kg 2
c00842a8-627e-4036-995a-a630acbd0257 Environmental → Air → Long-term EF 3.1 kg 0
37cd2864-53f9-4703-8dd4-bd9748ff1811 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
906f9d86-a06f-4642-bc5f-b59ff1488ab6 Environmental → Air → Unknown EF 3.1 kg 2
b956e128-e2cb-482f-838a-3913f52df354 Environmental → Ground → Agricultural EF 3.1 kg 2
b7584933-a52b-4551-b0b4-7e794cce49c0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
04dc0635-bbf4-43cd-99fa-da905fc2315a Environmental → Ground → Unknown EF 3.1 kg 2
cf606322-e52b-46ff-95c3-8764efc99208 Environmental → Water → Long-term EF 3.1 kg 0
33aee9f8-d6cc-419e-b694-fb70ab915a6b Environmental → Water → Ocean EF 3.1 kg 2
4b6c6702-8226-41f8-8a1e-a6fd1c6fcab1 Environmental → Water → Surface water EF 3.1 kg 2
8f122eea-cea5-4012-8ea9-fb26ee7895cf 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-1d7c4d2e32c57e0b",
  "prefLabel": [
    {
      "@value": "1-chloro-4-(trichloromethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4,α,α,α-Tetrachlorotoluene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorobenzotrichloride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-4-(trichloromethyl)-",
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    },
    {
      "@value": "p-(Trichloromethyl)chlorobenzene",
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    {
      "@value": "p-Chlorophenyltrichloromethane",
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    },
    {
      "@value": "Toluene, p,α,α,α-tetrachloro-",
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}

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