Consensus flow list

1,4-dimethoxy-2-nitrobenzene

fo-689aaded2c34fa8c

Identity

Type
NeutralMolecule
CAS
89-39-4
EC
201-903-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,4-dimethoxy-2-nitrobenzene

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UPTOWXNJLZJTGD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-dimethoxy-2-nitrobenzene
Molecular formula chemrof:molecular_formula C8H9NO4
Molecular mass chemrof:molecular_mass 183.163
Monoisotopic mass chemrof:monoisotopic_mass 183.053158
SMILES string chemrof:smiles_string COc1ccc(OC)c([N+](=O)[O-])c1

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=89-39-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.731 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5058987 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1321 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37986 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26K58PSU0G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.778B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66639 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254105 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fc30ab96-ff44-4045-8044-575dfa026372 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
06d0e9fc-c5f2-43c9-af87-57e5a713dc7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e74d3ec6-5d9f-483a-be5a-79b6262e32ab Environmental → Air → Indoor EF 3.1 kg 2
9cfe6895-b39b-418e-907b-5f16df564fa9 Environmental → Air → Long-term EF 3.1 kg 0
e0b1106c-de51-4bf5-b84b-2d58cbe45441 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
54779370-4c9e-48a2-bcac-9271c74d57d7 Environmental → Air → Unknown EF 3.1 kg 2
1422f597-8dcb-468b-afe4-b5ef73a0a04d Environmental → Ground → Agricultural EF 3.1 kg 2
44ac415e-a22b-4dd2-a58b-a178d46dca97 Environmental → Ground → Non-agricultural EF 3.1 kg 2
dae52a5b-84e8-46dc-b371-0c033f73cd91 Environmental → Ground → Unknown EF 3.1 kg 2
ee9b0643-d4e8-4239-997f-ece755d36496 Environmental → Water → Long-term EF 3.1 kg 0
6fae753d-a3a5-4ac0-b0c9-1a4d2f84d35b Environmental → Water → Ocean EF 3.1 kg 2
523ff449-05ce-4e6a-86d0-b65f6f637830 Environmental → Water → Surface water EF 3.1 kg 2
02d77e9a-470a-409b-9889-10d5f30ebda8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2,5-Dimethoxynitrobenzene",
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    {
      "@value": "Benzene, 1,4-dimethoxy-2-nitro-",
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