Consensus flow list

Identity

Type
Neutral molecule
CAS
2581-34-2
EC
219-952-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-nitro-m-cresol

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PIIZYNQECPTVEO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
IUPAC name chemrof:IUPAC_name 4-nitro-m-cresol
Molecular formula chemrof:molecular_formula C7H7NO3
Molecular mass chemrof:molecular_mass 153.137
Monoisotopic mass chemrof:monoisotopic_mass 153.04259, 153.042593
SMILES string chemrof:smiles_string Cc1cc(O)ccc1[N+](=O)[O-]

Known URLs

14

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
beilstein beilstein:1868105 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2581-34-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38683 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.139 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2062535 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=69190 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2CC94832EU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245927 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2908.99.33.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.423E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J886.766F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55963 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17412 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27117943 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fec3a176-3599-4b5d-84e4-cfbad44c6ffa Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1d83e893-f5e3-4e4a-9eed-0ba802ba1587 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
669ff38a-f476-4c42-83b5-8356bfc59cb0 Environmental → Air → Indoor EF 3.1 kg 2
649dcfae-6f9a-4ecb-960f-828d61958ea5 Environmental → Air → Long-term EF 3.1 kg 0
8e7daabe-377b-47c0-a779-c04dd206152b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a4aa1536-4f19-44b7-98db-4e5274cecd07 Environmental → Air → Unknown EF 3.1 kg 2
1652c82a-7535-46fb-aa00-ca7bc008c40a Environmental → Ground → Agricultural EF 3.1 kg 2
051098bb-d6ec-41c8-93c8-9b4fd096ba05 Environmental → Ground → Non-agricultural EF 3.1 kg 2
692ca443-8377-4a8e-8886-52e96b43f53c Environmental → Ground → Unknown EF 3.1 kg 2
5b248c3c-7629-4e92-9655-68e99915ccd7 Environmental → Water → Long-term EF 3.1 kg 0
e20d6286-5907-4567-b98e-e40faac833f5 Environmental → Water → Ocean EF 3.1 kg 2
cedd6da6-db7c-42a0-a991-f7582f969ea7 Environmental → Water → Surface water EF 3.1 kg 2
2e2ad833-e633-486b-a5d3-2531adc75b1a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ad79700957b3476c",
  "prefLabel": [
    {
      "@value": "4-nitro-m-cresol",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Nitro-5-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "3-methyl-4-nitrophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Nitro-3-cresol",
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    {
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    {
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    {
      "@value": "m-Cresol, 4-nitro-",
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    },
    {
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