Consensus flow list

Identity

Type
Neutral molecule
CAS
83-41-0
EC
201-474-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-nitro-o-xylene

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FVHAWXWFPBPFOS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name 3-nitro-o-xylene
Molecular formula chemrof:molecular_formula C8H9NO2
Molecular mass chemrof:molecular_mass 151.165
Monoisotopic mass chemrof:monoisotopic_mass 151.063329
SMILES string chemrof:smiles_string Cc1cccc([N+](=O)[O-])c1C

Known URLs

11

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=83-41-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.341 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.437 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025132 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5402 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1596825 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/49GNX4CY5W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.094G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6739 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1665 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27259283 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07e56217-1a8d-406a-b240-55d3e8bbf11b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bdcf4167-b52f-4d64-a88a-8e1df0699765 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fa3cf79a-9006-42aa-b689-7cb28af22d26 Environmental → Air → Indoor EF 3.1 kg 2
b9539352-ab51-4db8-9a4f-af05bef07bdd Environmental → Air → Long-term EF 3.1 kg 0
8e728ed5-971f-406c-aa85-deedf37e7eaa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8dd2efce-156d-44dc-95b1-42829b52ef4f Environmental → Air → Unknown EF 3.1 kg 2
c2052477-eb5e-41aa-b6a5-c55f61c4b0d6 Environmental → Ground → Agricultural EF 3.1 kg 2
88e220d1-0722-4cb1-9046-d6e4835b9e86 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b8524f82-e317-480a-932f-8439958923ce Environmental → Ground → Unknown EF 3.1 kg 2
b2af19c9-1dd6-42af-bb8a-eda9ff5d5786 Environmental → Water → Long-term EF 3.1 kg 0
36b21a46-57da-4f2e-b28b-1050d8c18eea Environmental → Water → Ocean EF 3.1 kg 2
1c8b294d-fb01-4267-8290-993ecdebb975 Environmental → Water → Surface water EF 3.1 kg 2
b1b8aa0b-6b5d-4e3f-bfa5-553fbc755ba4 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-6d1ca2e4908e92ae",
  "prefLabel": [
    {
      "@value": "3-nitro-o-xylene",
      "@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": "1,2-Dimethyl-3-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-41-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dimethyl-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-41-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dimethylnitrobenzene",
      "@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=83-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitro-o-xylol",
      "@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=83-41-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-dimethyl-3-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Xylene, 3-nitro-",
      "@language": "en",
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      "provenance": {
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      }
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  ],
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        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc([N+](=O)[O-])c1C"
          ]
        }
      ],
      "attested_by": {
        "151.165": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
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      ],
      "attested_by": {
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        ]
      },
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  },
  "references": [
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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