Consensus flow list

Identity

Type
Neutral molecule
CAS
98-42-0
EC
202-667-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-amino-4-methoxybenzenesulfonic Acid

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FLIOATBXVNLPLK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 3-amino-4-methoxybenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C7H9NO4S
Molecular mass chemrof:molecular_mass 203.219
Monoisotopic mass chemrof:monoisotopic_mass 203.025229
SMILES string chemrof:smiles_string COc1ccc(S(=O)(=O)O)cc1N

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=167860-86-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-42-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.425 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9059171 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74459 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UC28556HZC enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.952B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66821 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q18472671 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07cc908b-3c75-4546-b661-46de20765a2b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eaf4ade3-c8e0-4d4b-a954-e51904f6e131 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
04897212-6898-42d5-9aa5-aca87f603e54 Environmental → Air → Indoor EF 3.1 kg 2
c4661222-088e-42a3-8814-7d5cb243f742 Environmental → Air → Long-term EF 3.1 kg 0
6ba42412-e82c-4095-88d3-0ca9fee6ae5e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3e678955-9d7d-47ba-a4da-a5c9939bc987 Environmental → Air → Unknown EF 3.1 kg 2
a68ea17f-b248-49f2-a88b-19df9d9113e7 Environmental → Ground → Agricultural EF 3.1 kg 2
090ff889-80c4-4415-aa08-3e492100d2bb Environmental → Ground → Non-agricultural EF 3.1 kg 2
e552bc90-fbad-4d43-8a74-cedac87ca1e2 Environmental → Ground → Unknown EF 3.1 kg 2
48c80f64-0a02-4308-9c28-c1e4bab43bee Environmental → Water → Long-term EF 3.1 kg 0
0f5cd217-f723-4aea-bac6-7770d52064af Environmental → Water → Ocean EF 3.1 kg 2
769cd207-c075-4ce5-a37e-d814cd64e2b9 Environmental → Water → Surface water EF 3.1 kg 2
5a671fe0-3e87-427b-8429-534e9c6a1da1 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-938dfc0253869534",
  "prefLabel": [
    {
      "@value": "3-amino-4-methoxybenzenesulfonic Acid",
      "@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": "2-Aminoanisole-4-sulfonic acid",
      "@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=98-42-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Anisidine-4-sulfonic acid",
      "@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=98-42-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxy-5-sulfoaniline",
      "@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": "2-Methoxyaniline-5-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=98-42-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Amino-4-methoxybenzene-1-sulfonic acid",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Benzenesulfonic acid, 3-amino-4-methoxy-",
      "@language": "en",
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    },
    {
      "@value": "Metanilic acid, 4-methoxy-",
      "@language": "en",
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      }
    },
    {
      "@value": "o-Anisidine-4-sulfonic acid",
      "@language": "en",
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        ],
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    },
    {
      "@value": "o-Anisidine-p-sulfonic acid",
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