Brightway Flows 1.0
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4-nitrophenetole

fo-bd62615b6d2eb56e

Identity

Type
Neutral molecule
CAS
100-29-8
EC
202-837-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-nitrophenetole

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NWPKEYHUZKMWKJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
IUPAC name chemrof:IUPAC_name 4-nitrophenetole
Molecular formula chemrof:molecular_formula C8H9NO3
Molecular mass chemrof:molecular_mass 167.164
Monoisotopic mass chemrof:monoisotopic_mass 167.058243
SMILES string chemrof:smiles_string CCOc1ccc([N+](=O)[O-])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=100-29-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.580 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7026655 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9812 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182742 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O0A69I1MCU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.827J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7495 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q19258093 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7391b5e6-e52c-4694-8e17-be8111725ddc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d90a5ebe-8150-493c-a8fb-0c9b6135cedb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80405dcc-14f3-42cd-a287-43379463b1af Environmental → Air → Indoor EF 3.1 kg 2
df2849e1-a4d0-40af-af2d-e29313d58d0e Environmental → Air → Long-term EF 3.1 kg 0
efb29679-e8bd-494d-acd8-b84eb42d25e9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
71354d4f-5084-417a-b66c-184abb853544 Environmental → Air → Unknown EF 3.1 kg 2
b48980c5-cd01-4253-a973-eb4eda48e302 Environmental → Ground → Agricultural EF 3.1 kg 2
2bd3c301-e635-43c8-b62a-63d153dbd435 Environmental → Ground → Non-agricultural EF 3.1 kg 2
43c2a2a9-6cdd-4b5f-8b91-96c836f0345c Environmental → Ground → Unknown EF 3.1 kg 2
f256e7c9-37ca-41fd-887e-996adf696012 Environmental → Water → Long-term EF 3.1 kg 0
54b7c241-5732-47d1-8a5a-ba0949355f52 Environmental → Water → Ocean EF 3.1 kg 2
59e3e928-fede-454a-af0a-d78c27da7c60 Environmental → Water → Surface water EF 3.1 kg 2
ea64b168-169a-4780-a91a-a257f2cf7320 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-bd62615b6d2eb56e",
  "prefLabel": [
    {
      "@value": "4-nitrophenetole",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Ethoxy-4-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Ethoxy-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "4-Ethoxynitrobenzene",
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          "https://commonchemistry.cas.org/detail?cas_rn=100-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitrophenyl ethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=100-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-ethoxy-4-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Ethyl 4-nitrophenyl ether",
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        ],
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    },
    {
      "@value": "Ethyl p-nitrophenyl ether",
      "@language": "en",
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    {
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    },
    {
      "@value": "p-Nitrobenzene ethyl ether",
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    {
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}

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