Brightway Flows 1.0
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4-nitrobenzamide

fo-71b5a935ad64f1c2

Identity

Type
Neutral molecule
CAS
619-80-7
EC
210-613-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-nitrobenzamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZESWUEBPRPGMTP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
IUPAC name chemrof:IUPAC_name 4-nitrobenzamide
Molecular formula chemrof:molecular_formula C7H6N2O3
Molecular mass chemrof:molecular_mass 166.136
Monoisotopic mass chemrof:monoisotopic_mass 166.037842
SMILES string chemrof:smiles_string NC(=O)c1ccc([N+](=O)[O-])cc1

Known URLs

10

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=619-80-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.650 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022086 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2902 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1483601 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/683NB4HAX7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.020C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12091 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022737 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q72494277 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a9e32ce8-76b9-444e-ab67-b144e5d78821 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0c9e130b-9870-4317-a765-5b52b1dde1d0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1494a327-aaee-4ec8-80ca-b919ad67cecd Environmental → Air → Indoor EF 3.1 kg 2
d3c41981-136c-4efb-8a40-52fa10ab6d40 Environmental → Air → Long-term EF 3.1 kg 0
7aa56bcc-cec5-43cc-95f7-f261445f6a10 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c157c165-6887-40b3-8c7d-1ee4cd5462f0 Environmental → Air → Unknown EF 3.1 kg 2
22bbfd6d-587b-4d2d-bcac-3460ed1ff69e Environmental → Ground → Agricultural EF 3.1 kg 2
5c455385-6f41-4d8a-9f1d-1c7dd7eb6d79 Environmental → Ground → Non-agricultural EF 3.1 kg 2
778f8bcb-17b3-429c-9262-10ce2cb85d4d Environmental → Ground → Unknown EF 3.1 kg 2
1a7add3c-edc2-4ec0-b7f5-a7b47e430695 Environmental → Water → Long-term EF 3.1 kg 0
2b00984d-a7af-4baf-9719-8ceab2194f9f Environmental → Water → Ocean EF 3.1 kg 2
18c66f25-997e-4f4f-b1fb-2d6ff0295960 Environmental → Water → Surface water EF 3.1 kg 2
c77eed22-79d5-4561-a88a-89eb2dac651e 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-71b5a935ad64f1c2",
  "prefLabel": [
    {
      "@value": "4-nitrobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzamide, 4-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:619-80-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=619-80-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, p-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Nitrobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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  "properties": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "provenance": [
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  },
  "references": [
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  "created_from": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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