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2-methoxy-4-(phenylamino)benzene-1-diazonium; Hexafluoro-λ⁵-phosphanuide

fo-acc1c374659b29de

Identity

Type
Chemical salt
CAS
68900-98-1
EC
442-910-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methoxy-4-(phenylamino)benzene-1-diazonium; Hexafluoro-λ⁵-phosphanuide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IVWKVYJTIKSWEX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H12N3O.F6P/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-7(2,3,4,5)6/h2-9,15H,1H3;/q+1;-1
IUPAC name chemrof:IUPAC_name 2-methoxy-4-(phenylamino)benzene-1-diazonium; Hexafluoro-λ⁵-phosphanuide
Molecular formula chemrof:molecular_formula C13H12F6N3OP
Molecular mass chemrof:molecular_mass 371.221
Monoisotopic mass chemrof:monoisotopic_mass 371.062218
SMILES string chemrof:smiles_string COc1cc(Nc2ccccc2)ccc1[N+]#N.F[P-](F)(F)(F)(F)F

Known URLs

5

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=68900-98-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.847 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20887557 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22062508 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82866742 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
de896ca1-080c-4aa0-890c-f89b4be7b27c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1d057223-c196-46b8-a3b4-784b6ec2fe00 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c86de717-3b62-40f8-bdab-240c19078eda Environmental → Air → Indoor EF 3.1 kg 4
716a225b-664c-4b85-a7c4-b3674346ae24 Environmental → Air → Long-term EF 3.1 kg 0
4b3abd10-899e-4f58-9b85-ca571ba68b33 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0e0bc55e-9d3a-4a51-a03f-e4c9c5439736 Environmental → Air → Unknown EF 3.1 kg 4
91b23b20-71d6-4d7a-9c7d-ff9117e7120e Environmental → Ground → Agricultural EF 3.1 kg 4
87f9ee66-4980-4822-bfc6-765e90d8fbca Environmental → Ground → Non-agricultural EF 3.1 kg 4
c1860425-98a7-4bda-a642-3f78135707a4 Environmental → Ground → Unknown EF 3.1 kg 4
6e5c7a7b-54ef-4e24-bdfe-5414f51e96a3 Environmental → Water → Long-term EF 3.1 kg 0
20d447e6-68f9-44ec-84c0-56b86b940533 Environmental → Water → Ocean EF 3.1 kg 4
2c0ab225-3f7b-4ca3-9ac1-a486d869fdcd Environmental → Water → Surface water EF 3.1 kg 4
e32123ef-f7c5-4782-9300-d34440d7ac59 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-acc1c374659b29de",
  "prefLabel": [
    {
      "@value": "2-methoxy-4-(phenylamino)benzene-1-diazonium; Hexafluoro-λ⁵-phosphanuide",
      "@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": "3-Methoxy-4-diazodiphenylamine hexafluorophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenediazonium, 2-methoxy-4-(phenylamino)-, hexafluorophosphate(1-)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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      }
    },
    {
      "@value": "Benzenediazonium, 2-methoxy-4-(phenylamino)-, hexafluorophosphate(1-) (1:1)",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Phosphate(1-), hexafluoro-, 2-methoxy-4-(phenylamino)benzenediazonium",
      "@language": "en",
      "@lang": "en",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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