Consensus flow list

Identity

Type
Neutral molecule
CAS
606-22-4
EC
210-108-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,6-dinitroaniline

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QFUSCYRJMXLNRB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
IUPAC name chemrof:IUPAC_name 2,6-dinitroaniline
Molecular formula chemrof:molecular_formula C6H5N3O4
Molecular mass chemrof:molecular_mass 183.123
Monoisotopic mass chemrof:monoisotopic_mass 183.028006
SMILES string chemrof:smiles_string Nc1c([N+](=O)[O-])cccc1[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=606-22-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.190 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70209402 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93399 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8W27G0QBD7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.369G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69070 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27271104 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a012d362-db0d-44ff-952e-8e1f3e0df84b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5a264935-5b78-448e-a5bb-080166574337 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9d892dc7-f842-4903-8e9b-074921aae32a Environmental → Air → Indoor EF 3.1 kg 2
a4cd683a-3ded-46a3-92e4-1035b55f0bab Environmental → Air → Long-term EF 3.1 kg 0
4396c5b4-c30f-4cab-9f87-f90512e1d79f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7475a915-f6ba-46d4-b3b7-bb554a6e48a9 Environmental → Air → Unknown EF 3.1 kg 2
4f14924a-4088-4a13-a665-34de6ffb93b8 Environmental → Ground → Agricultural EF 3.1 kg 2
a83e8978-efda-4f63-b77b-42d49daffe55 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e0c33d2e-3990-4f24-a32e-dc238b479a3e Environmental → Ground → Unknown EF 3.1 kg 2
cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2 Environmental → Water → Long-term EF 3.1 kg 0
2dd5b215-16a8-4225-af39-152e9ffac355 Environmental → Water → Ocean EF 3.1 kg 2
0377f3d5-5b95-41f8-b5ba-124e7640e9fd Environmental → Water → Surface water EF 3.1 kg 2
1309e8e4-4cb9-4e76-94f3-0ceab0ab8316 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-88bf4f5d4d9430a9",
  "prefLabel": [
    {
      "@value": "2,6-dinitroaniline",
      "@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-2,6-dinitrobenzene",
      "@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=606-22-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dinitro-phenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=606-22-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dinitrobenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=606-22-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-1,3-dinitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 2,6-dinitro-",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Benzenamine, 2,6-dinitro-",
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}

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