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2-nitrobenzaldehyde

fo-346ce54143589b4f

Identity

Type
Neutral molecule
CAS
552-89-6
EC
209-025-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-nitrobenzaldehyde

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CMWKITSNTDAEDT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
IUPAC name chemrof:IUPAC_name 2-nitrobenzaldehyde
Molecular formula chemrof:molecular_formula C7H5NO3
Molecular mass chemrof:molecular_mass 151.121
Monoisotopic mass chemrof:monoisotopic_mass 151.02694, 151.026943
SMILES string chemrof:smiles_string O=Cc1ccccc1[N+](=O)[O-]

Known URLs

23

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=552-89-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66927 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0022060 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5713 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166559 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48B18Q9B8E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.615B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=64859 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11101 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19334025 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19576690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20024432 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20526512 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21222460 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21552590 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22019453 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22130085 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22613145 enrich_references.chebi_xrefs
reaxys reaxys:742624 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q1055849 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Nitrobenzaldehyde enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c0eda878-b13e-4c99-a5b0-c37671cab289 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
46e05573-de88-4a91-8610-cd90cdbb8e32 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
27fdcd7f-a1b3-4127-a273-08f68be4514e Environmental → Air → Indoor EF 3.1 kg 2
efb7fb7c-39a3-48b6-b5fa-470faa66f88a Environmental → Air → Long-term EF 3.1 kg 0
5cdb2409-9f3e-4a3e-b05c-20bdd56f33fe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ac4c193b-bde9-4d28-8785-fe7d3d85e532 Environmental → Air → Unknown EF 3.1 kg 2
e30502c9-2850-406a-ab3d-ac81f031a596 Environmental → Ground → Agricultural EF 3.1 kg 2
a4558327-4266-4c1a-84f9-ec3f99b03692 Environmental → Ground → Non-agricultural EF 3.1 kg 2
559108e0-9ede-4f51-bf89-b0919edef96d Environmental → Ground → Unknown EF 3.1 kg 2
88a1007c-621d-4186-b900-6b339aca0220 Environmental → Water → Long-term EF 3.1 kg 0
5233dbfa-1301-4065-8265-673b720eed48 Environmental → Water → Ocean EF 3.1 kg 2
244088ce-d664-4052-bf60-8bee43cf0af7 Environmental → Water → Surface water EF 3.1 kg 2
5538ab96-b2f8-4c9a-b4f3-b27cd6dc51aa Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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