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2-(4-chlorophenyl)-2-(1-cyclopropylethyl)-oxirane

fo-f17ff841802f6636

Identity

Type
Neutral molecule
CAS
94361-26-9
EC
619-021-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-(4-chlorophenyl)-2-(1-cyclopropylethyl)-oxirane

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QKTOXOPFYCOLPV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H15ClO/c1-9(10-2-3-10)13(8-15-13)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3
IUPAC name chemrof:IUPAC_name 2-(4-chlorophenyl)-2-(1-cyclopropylethyl)-oxirane
Molecular formula chemrof:molecular_formula C13H15ClO
Molecular mass chemrof:molecular_mass 222.715
Monoisotopic mass chemrof:monoisotopic_mass 222.081143
SMILES string chemrof:smiles_string CC(C1CC1)C1(c2ccc(Cl)cc2)CO1

Known URLs

5

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=94361-26-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.540 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID801045031 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13752847 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126611555 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a56433ab-de08-42cd-a094-595b4e614b7b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
39851d8e-67a1-4521-9978-f57fe7540c1d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c698e0d0-6421-42cb-acc3-b3dca9ba98b1 Environmental → Air → Indoor EF 3.1 kg 2
4465a2ef-d94e-4f7e-8490-0cc43daccca0 Environmental → Air → Long-term EF 3.1 kg 0
939b6e67-62d2-410f-85e1-6385582c8dc5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0d477e3d-5e4d-4604-ad73-9912fb0523c6 Environmental → Air → Unknown EF 3.1 kg 2
bc1d3154-4b16-4ab4-9f22-8b19d6c7df55 Environmental → Ground → Agricultural EF 3.1 kg 2
16f45e8f-dd2a-4ffe-8df1-bca1b7c59a91 Environmental → Ground → Non-agricultural EF 3.1 kg 2
73fde4b2-94fd-43ce-b05f-58876157ea3c Environmental → Ground → Unknown EF 3.1 kg 2
0180bdea-7cad-4e0b-8845-fbf7ce196ba4 Environmental → Water → Long-term EF 3.1 kg 0
909691fc-8042-4fed-9ff9-7b3d4e003b8f Environmental → Water → Ocean EF 3.1 kg 2
aafa7681-03fd-4553-93a2-c73edd308b06 Environmental → Water → Surface water EF 3.1 kg 2
fc69c38e-2074-495a-8739-215b8011c610 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f17ff841802f6636",
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    {
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  "altLabel": [
    {
      "@value": "2-(4-Chlorophenyl)-2-(1-cyclopropylethyl)oxirane",
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    },
    {
      "@value": "Oxirane, 2-(4-chlorophenyl)-2-(1-cyclopropylethyl)-",
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    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  ]
}

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