Consensus flow list

Identity

Type
Neutral molecule
CAS
99-52-5
EC
202-762-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-nitro-o-toluidine

Alternative labels

45

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XTTIQGSLJBWVIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
IUPAC name chemrof:IUPAC_name 4-nitro-o-toluidine
Molecular formula chemrof:molecular_formula C7H8N2O2
Molecular mass chemrof:molecular_mass 152.153
Monoisotopic mass chemrof:monoisotopic_mass 152.058577
SMILES string chemrof:smiles_string Cc1cc([N+](=O)[O-])ccc1N

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=99-52-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.511 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3025629 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2075 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5508 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1319213 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FFY36EWC4R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.088B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7441 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2660 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q63395972 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c9464e6c-c27d-4183-a534-b0e0055c0df4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f8d8a765-1f4f-4a29-885c-59d14e6ed9a6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d706319f-c8c7-47aa-ab18-0bac858f955b Environmental → Air → Indoor EF 3.1 kg 2
983c473f-f471-4013-860b-8af446e053b8 Environmental → Air → Long-term EF 3.1 kg 0
ecb01935-4f19-4062-b922-f5d5605bd4e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c0a6085a-04f6-4ec2-979d-3aa033d20ebb Environmental → Air → Unknown EF 3.1 kg 2
09a90e61-e4e3-47af-a12a-b67fe666ce34 Environmental → Ground → Agricultural EF 3.1 kg 2
a96ed8e5-76ff-4077-9967-407fbf6e5870 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b6ff68f7-a36c-4cf6-a7f8-d11c5895c2dc Environmental → Ground → Unknown EF 3.1 kg 2
d288a82d-30d6-44b8-83fd-df5218aea884 Environmental → Water → Long-term EF 3.1 kg 0
8d1772db-0f68-4d79-82c5-c204cd0b7e47 Environmental → Water → Ocean EF 3.1 kg 2
591b7e78-d3a1-4a6b-a997-4458bcb8d3b8 Environmental → Water → Surface water EF 3.1 kg 2
92334dc9-0526-425d-94e8-c61f6201ee88 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-d88037046245a674",
  "prefLabel": [
    {
      "@value": "4-nitro-o-toluidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2-methyl-4-nitrobenzene",
      "@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=99-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-1-methyl-5-nitrobenzene",
      "@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=99-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-5-nitrotoluene",
      "@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=99-52-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-4-nitrobenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Methyl-4-nitrophenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Methyl-p-nitroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "3-Methyl-4-aminonitrobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitro-2-methylaniline",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitro-2-toluidine",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitro-6-methylaniline",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-2-aminotoluene",
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      }
    },
    {
      "@value": "Ansibases Red RL",
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      }
    },
    {
      "@value": "Azoene Fast Red GL Base",
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      }
    },
    {
      "@value": "Azogene Fast Red NRL Salt",
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    },
    {
      "@value": "Azogene Fast Red RL",
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      }
    },
    {
      "@value": "Benzenamine, 2-methyl-4-nitro-",
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        ],
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      }
    },
    {
      "@value": "Daito Red Base RL",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Devol Red RL",
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      "provenance": {
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      }
    },
    {
      "@value": "Devol Red Salt E",
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    {
      "@value": "Diabase Red RL",
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    },
    {
      "@value": "Fast Red 5NT",
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      }
    },
    {
      "@value": "Fast Red 5NT Salt",
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    },
    {
      "@value": "Fast Red Base RL",
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      }
    },
    {
      "@value": "Fast Red RL Base",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Fast Red Salt RL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Hiltonil Fast Red RL Base",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Hiltosal Fast Red RL Salt",
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      }
    },
    {
      "@value": "Kako Red RL Base",
      "@language": "en",
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      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
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      }
    },
    {
      "@value": "Kayaku Red RL Base",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Meisei Fast Red RL Base",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Mitsui Red RL Base",
      "@language": "en",
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      }
    },
    {
      "@value": "MNA (optical crystal)",
      "@language": "en",
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      }
    },
    {
      "@value": "Naphtoelan Red RL Base",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Toluidine, 4-nitro-",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Red Base Ciba X",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Red Base Irga X",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Red Base NRL",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Red base RL",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Red RL Base",
      "@language": "en",
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      "provenance": {
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