2-Nitroanisole
fo-b45dcae44e497d7a
Identity
- Type
- Neutral molecule
- CAS
- 91-23-6
- EC
- 202-052-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
12- 1-methoxy-2-nitrobenzene
- 1-Nitro-2-methoxybenzene
- 2-Methoxy-1-nitrobenzene
- 2-Methoxynitrobenzene
- 2-Nitromethoxybenzene
- Anisole, o-nitro-
- Benzene, 1-methoxy-2-nitro-
- o-methoxynitrobenzene
- O-nitroanisole
- o-Nitrobenzene methyl ether
- o-Nitrophenyl methyl ether
- Nitroanisole, o-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-Nitroanisole |
| Molecular formula chemrof:molecular_formula | C7H7NO3 |
| Molecular mass chemrof:molecular_mass | 153.137 |
| Monoisotopic mass chemrof:monoisotopic_mass | 153.04259, 153.042593 |
| SMILES string chemrof:smiles_string | COc1ccccc1[N+](=O)[O-] |
Known URLs
23Where 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=91-23-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48722 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.866 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1520 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020962 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5506 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166415 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZRE7HLZ17K | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.923C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19270 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19270 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57114 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44312 | enrich_references.pubchem_identifier_url |
| patent | patent:CN101643419 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7048 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2730 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16601807 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21187827 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21217841 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21946300 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1868032 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27121353 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/O-Nitroanisole | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb2bf9-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a310-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 48182db9-753f-4ecd-89be-bacc4bd3d259 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a30f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a311-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a30e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a30c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a315-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a30d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a313-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a27a-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a312-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 6486c18b38c56ba95bfa407f9d03b8c360c06b5b | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-a314-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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