Consensus flow list

Identity

Type
Neutral molecule
CAS
4920-77-8
EC
225-546-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-nitro-m-cresol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QIORDSKCCHRSSD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3
IUPAC name chemrof:IUPAC_name 2-nitro-m-cresol
Molecular formula chemrof:molecular_formula C7H7NO3
Molecular mass chemrof:molecular_mass 153.137
Monoisotopic mass chemrof:monoisotopic_mass 153.042593
SMILES string chemrof:smiles_string Cc1cccc(O)c1[N+](=O)[O-]

Known URLs

8

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=4920-77-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.224 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90197716 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41206 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I4QBB2L3C0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.222E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21026 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280440 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fddf7f80-18fc-46e8-b640-c1fb52d6b593 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
120ba872-f652-4b5c-91ff-eba93edca7cf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
15b4874e-5547-4b4f-bf84-d3ac453dc414 Environmental → Air → Indoor EF 3.1 kg 2
174535ce-4966-462d-ae06-e8e7be98455f Environmental → Air → Long-term EF 3.1 kg 0
3655c5f7-0224-4165-a37e-03d61eeaeaf0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8432ac6b-0546-4b0f-8b14-16cb896421a3 Environmental → Air → Unknown EF 3.1 kg 2
25e39bdd-b4dd-4308-9c88-b0c4b4ee7712 Environmental → Ground → Agricultural EF 3.1 kg 2
ecdae0f3-724a-4bb1-ba5f-15f9e37696e5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4b31c62f-9f88-4929-b102-4572e09bc2a1 Environmental → Ground → Unknown EF 3.1 kg 2
aa525317-0e4f-4073-a6db-bc53f73bc981 Environmental → Water → Long-term EF 3.1 kg 0
4ecb8d18-d22d-4d4f-b71a-301df3fb4328 Environmental → Water → Ocean EF 3.1 kg 2
d8549796-3f93-4a15-9a4c-65cd712a7b87 Environmental → Water → Surface water EF 3.1 kg 2
a69f2dcb-bff8-48cc-acdf-7d3b83650ae9 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-12ded1026df51e2e",
  "prefLabel": [
    {
      "@value": "2-nitro-m-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Hydroxy-6-methylnitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4920-77-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4920-77-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-6-hydroxynitrobenzene",
      "@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=4920-77-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-3-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=4920-77-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-3-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxy-2-nitrotoluene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-2-nitrophenol",
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        ],
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      }
    },
    {
      "@value": "m-Cresol, 2-nitro-",
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    },
    {
      "@value": "Phenol, 3-methyl-2-nitro-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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}

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