Consensus flow list

Identity

Type
NeutralMolecule
CAS
611-19-8
EC
210-258-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BASMANVIUSSIIM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
IUPAC name chemrof:IUPAC_name 1-chloro-2-(chloromethyl)benzene
Molecular formula chemrof:molecular_formula C7H6Cl2
Molecular mass chemrof:molecular_mass 161.031
Monoisotopic mass chemrof:monoisotopic_mass 159.984656
SMILES string chemrof:smiles_string ClCc1ccccc1Cl

Known URLs

11

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=611-19-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.327 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1763 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027241 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8446 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187054 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H58DI83RMD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J91.319G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11906 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2235 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27279668 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
381ddeb3-bfa1-46bf-a900-a3c5750be959 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fc1f389b-ff44-4267-8217-b434cd71e0b9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7ba45b1a-4aac-4bbb-8bd8-a83a1c75262c Environmental → Air → Indoor EF 3.1 kg 4
93d6b374-9ad4-4ddd-b3bc-95f88a1af759 Environmental → Air → Long-term EF 3.1 kg 0
5ef0228b-cee8-4f3e-8a55-5e8cd078e3ed Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
992a75c2-37be-4b90-a9a2-3e7d34a5bdd2 Environmental → Air → Unknown EF 3.1 kg 4
22b975db-ac2b-43f0-a6fc-323d605d08dd Environmental → Ground → Agricultural EF 3.1 kg 4
a9b6fa67-b58a-4d42-b63f-33e04afd8235 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a76a6578-2ad3-43cb-a229-24001a79d6f3 Environmental → Ground → Unknown EF 3.1 kg 4
e63a0985-a508-4924-9910-95a48a064361 Environmental → Water → Long-term EF 3.1 kg 0
b6c34808-bfd0-4020-9d43-1d0c4fe781a7 Environmental → Water → Ocean EF 3.1 kg 4
2c52adfb-55b7-4554-ba2c-071722a04e18 Environmental → Water → Surface water EF 3.1 kg 4
fda7eb92-0576-4e0a-9d53-4013f2c3aaaa Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-863f4f3ab3bee59f",
  "prefLabel": [
    {
      "@value": "1-chloro-2-(chloromethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chlorobenzyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=611-19-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-2-(chloromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o,α-Dichlorotoluene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Chlorobenzyl chloride",
      "@language": "en",
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    },
    {
      "@value": "Toluene, o,α-dichloro-",
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    {
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