Consensus flow list

Identity

Type
Neutral molecule
CAS
111-91-1
EC
203-920-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bis(2-chloroethoxy)methane

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NLXGURFLBLRZRO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
IUPAC name chemrof:IUPAC_name Bis(2-chloroethoxy)methane
Molecular formula chemrof:molecular_formula C5H10Cl2O2
Molecular mass chemrof:molecular_mass 173.039
Monoisotopic mass chemrof:monoisotopic_mass 172.005785
SMILES string chemrof:smiles_string ClCCOCOCCCl

Known URLs

10

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=111-91-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.564 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4023917 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5212 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1893366 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5288KK0810 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.053H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8147 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27260978 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d454e6d4-29d6-4d63-ba3c-02dc8663368c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f9af360f-15b6-4b71-8e1d-be3a9eaa0632 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e501914-95df-4a26-94bc-f0c47a5f702e Environmental → Air → Indoor EF 3.1 kg 4
2b28f992-0756-44da-9e02-43475fabdee2 Environmental → Air → Long-term EF 3.1 kg 0
18556d2a-f1f6-4416-beb0-4f57e248cc88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
76a6619d-0284-4b4b-a0f8-47cbb1bba620 Environmental → Air → Unknown EF 3.1 kg 4
0ea0549d-d8d0-47d5-883f-5a95bb0f4d29 Environmental → Ground → Agricultural EF 3.1 kg 4
99b7ec55-0370-4745-9f11-cb77f6b71ad2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fa351181-e3b2-43cf-a127-271597b050af Environmental → Ground → Unknown EF 3.1 kg 4
85d67560-1623-4da4-ba98-49e73902acbc Environmental → Water → Long-term EF 3.1 kg 0
ac0f6fe2-d1c3-43ce-878a-21536a852b6f Environmental → Water → Ocean EF 3.1 kg 4
d072d830-61cc-4248-98fa-c1631ec4e8fb Environmental → Water → Surface water EF 3.1 kg 4
40a54e43-aecd-45e0-a7bf-fd683d61f3aa Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d7441526843a7f86",
  "prefLabel": [
    {
      "@value": "Bis(2-chloroethoxy)methane",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-[Methylenebis(oxy)]bis[2-chloroethane]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,7-Dichloro-3,5-dioxaheptane",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "1-Chloro-2-(2-chloroethoxymethoxy)ethane",
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      }
    },
    {
      "@value": "Bis(2-chloroethyl) formal",
      "@language": "en",
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    {
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    {
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      "@value": "Ethane, 1,1′-[methylenebis(oxy)]bis[2-chloro-",
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    {
      "@value": "Formaldehyde bis(2-chloroethyl) acetal",
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