Consensus flow list

Identity

Type
NeutralMolecule
CAS
6635-20-7
EC
229-633-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 5-Nitrovanillin

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZEHYRTJBFMZHCY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
IUPAC name chemrof:IUPAC_name 5-Nitrovanillin
Molecular formula chemrof:molecular_formula C8H7NO5
Molecular mass chemrof:molecular_mass 197.146
Monoisotopic mass chemrof:monoisotopic_mass 197.03242, 197.032422
SMILES string chemrof:smiles_string COc1cc(C=O)cc([N+](=O)[O-])c1O

Known URLs

14

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=6635-20-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48385 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.940 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2075344 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16932 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=35352 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G6SQ47R9WB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J238K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56962 enrich_references.pubchem_identifier_url
patent patent:WO2005063693 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/81134 enrich_references.pubchem_compound
reaxys reaxys:1973746 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27121176 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/5-Nitrovanillin enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1413eb40-7d97-43f2-9690-8369be09d87c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7504fa09-983f-4188-b6fc-5acacfc09fa4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c18e874b-2f63-43d0-95e7-2477b425bcc9 Environmental → Air → Indoor EF 3.1 kg 2
f24fb42c-3582-4025-9a19-bc45ab61b29b Environmental → Air → Long-term EF 3.1 kg 0
66cdd6e2-8522-4708-85cc-2e69e6a02dfa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f9e2000c-9328-49b6-9de2-c7b1306f6c02 Environmental → Air → Unknown EF 3.1 kg 2
7d7ec07c-cd6a-45c9-8ea5-10002a72640d Environmental → Ground → Agricultural EF 3.1 kg 2
a18d5d5a-9bbd-4b11-b6c4-97ecf150b8b5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c468916d-1705-41a9-9e75-5afb7e5316e8 Environmental → Ground → Unknown EF 3.1 kg 2
460b4044-babf-43b6-b5f1-3439684b9914 Environmental → Water → Long-term EF 3.1 kg 0
3d9da864-6d2c-4701-97ec-cc2e50f16ee2 Environmental → Water → Ocean EF 3.1 kg 2
ebc7ce5a-ecca-49e0-bcf7-a1ad945cbc91 Environmental → Water → Surface water EF 3.1 kg 2
0078e891-f237-4542-a3ec-8b047ad682ff Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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    {
      "@value": "A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group is substituted by a nitro group.",
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  ],
  "@type": [
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  ]
}

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