Consensus flow list

Identity

Type
NeutralMolecule
CAS
92-55-7
EC
202-166-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (5-nitro-2-furyl)methylene Diacetate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HSXKWKJCZNRMJO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3
IUPAC name chemrof:IUPAC_name (5-nitro-2-furyl)methylene Diacetate
Molecular formula chemrof:molecular_formula C9H9NO7
Molecular mass chemrof:molecular_mass 243.171
Monoisotopic mass chemrof:monoisotopic_mass 243.037902
SMILES string chemrof:smiles_string CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1

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=92-55-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.970 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020946 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5411 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL402463 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7X0X1KNE3Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J801J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7097 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5804949 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5db0855f-80fd-4396-af53-90e4dbec782a Environmental → Air → Aircraft cruise height EF 3.1 kg 0
57b695e1-3781-4b0e-af3d-2534500e85a4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
2d53a3ea-4f1b-4c53-b38c-d556bbaf5a93 Environmental → Air → Indoor EF 3.1 kg 0
b1098668-95f2-4cd8-91c6-df03587cdc32 Environmental → Air → Long-term EF 3.1 kg 0
f6807bce-c0cd-4526-b37a-e7892af9f7da Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
34ff8b42-fe41-4b41-b180-bd4e7f3fa575 Environmental → Air → Unknown EF 3.1 kg 0
58869f9c-aa37-4ca0-b8ee-6b3ac744cc38 Environmental → Ground → Agricultural EF 3.1 kg 0
89609a0f-e882-4e69-8e34-ec8dfdcdee6e Environmental → Ground → Non-agricultural EF 3.1 kg 0
43db3a95-b46b-4463-b945-a440e2c6ee56 Environmental → Ground → Unknown EF 3.1 kg 0
fa979b75-b74d-4408-9667-1e101590daf3 Environmental → Water → Long-term EF 3.1 kg 0
d667439f-529d-4421-97ab-c34718b925c3 Environmental → Water → Ocean EF 3.1 kg 0
3de7c39e-ef41-435d-a6df-e69c01fb536f Environmental → Water → Surface water EF 3.1 kg 0
8c082c3d-3bab-42b4-bbaa-dd21eeb38035 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-43b74105369cffe3",
  "prefLabel": [
    {
      "@value": "(5-nitro-2-furyl)methylene Diacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Acetyloxy)(5-nitro-2-furyl)methyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Acetyloxy)(5-nitrofuran-2-yl)methyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2-(Diacetoxymethyl)-5-nitrofuran",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Furanmethanediol, 5-nitro-, diacetate",
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      "provenance": {
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    },
    {
      "@value": "5-Nitro-2-furanmethanediol diacetate",
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      }
    },
    {
      "@value": "5-Nitro-2-furfurylidene diacetate",
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      }
    },
    {
      "@value": "5-Nitrofuraldehyde diacetate",
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    },
    {
      "@value": "5-Nitrofurfural diacetate",
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    },
    {
      "@value": "5-Nitrofurfurylidene diacetate",
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    },
    {
      "@value": "Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)",
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}

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