Consensus flow list

Identity

Type
NeutralMolecule
CAS
88-66-4
EC
201-849-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-chloro-2-(dichloromethyl)benzene

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BXSVYGKOUULJCL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
IUPAC name chemrof:IUPAC_name 1-chloro-2-(dichloromethyl)benzene
Molecular formula chemrof:molecular_formula C7H5Cl3
Molecular mass chemrof:molecular_mass 195.476
Monoisotopic mass chemrof:monoisotopic_mass 193.945683
SMILES string chemrof:smiles_string Clc1ccccc1C(Cl)Cl

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=88-66-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.681 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1058975 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K5E7WV7UTV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J91.330H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66624 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81988620 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cd6b37cf-9c83-4092-8027-2b57902d52c9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7f996a94-dcde-4438-b421-474e8fcf80b9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ed48f730-6e33-45fb-8445-715703724d19 Environmental → Air → Indoor EF 3.1 kg 2
0b7def35-788d-4e41-8319-f64f35bed96b Environmental → Air → Long-term EF 3.1 kg 0
34bd5422-f93f-4211-ae4e-4297e89ecb96 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2637efa2-5c4c-4b95-9a4f-80d52ce95fc8 Environmental → Air → Unknown EF 3.1 kg 2
25461359-85e6-481e-b4d3-2fded97def90 Environmental → Ground → Agricultural EF 3.1 kg 2
8d5b2e50-a2bc-4b6f-a718-3b95738f99be Environmental → Ground → Non-agricultural EF 3.1 kg 2
6f5b4321-313c-4d7f-95fc-6358ff7e2f6a Environmental → Ground → Unknown EF 3.1 kg 2
82284b55-7a0a-4839-ad4e-0e840d645b36 Environmental → Water → Long-term EF 3.1 kg 0
5cfed883-9e1e-43bf-b207-08de85394c5c Environmental → Water → Ocean EF 3.1 kg 2
f31f4c4a-ce54-4409-bfa1-dd2c41419b1f Environmental → Water → Surface water EF 3.1 kg 2
a0c138d0-47e4-4e7d-9394-7ab7e1cc6bd1 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-a3bd716ff538456c",
  "prefLabel": [
    {
      "@value": "1-chloro-2-(dichloromethyl)benzene",
      "@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": "2-Chloro dichloromethyl benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-66-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chlorobenzal chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-66-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chlorobenzylidene chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-66-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chlorobenzylidene dichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=88-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-2-(dichloromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=88-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o,α,α-Trichlorotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "o-(Dichloromethyl)chlorobenzene",
      "@language": "en",
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        ],
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    },
    {
      "@value": "o-Chlorobenzal chloride",
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        ],
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      }
    },
    {
      "@value": "o-Chlorobenzylidene chloride",
      "@language": "en",
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      }
    },
    {
      "@value": "Toluene, o,α,α-trichloro-",
      "@language": "en",
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  "properties": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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