1-chloro-2-nitrobenzene
fo-5493d6a222fe2e7c
Identity
- Type
- Neutral molecule
- CAS
- 88-73-3
- EC
- 201-854-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
13- 1-nitro-2-chlorobenzene
- 2-chloro-1-nitrobenzene
- 2-chloronitrobenzene
- 2-Nitro-1-chlorobenzene
- 2-nitrochlorobenzene
- 2-Nitrophenyl chloride
- Benzene, 1-chloro-2-nitro-
- o-chloronitrobenzene
- o-Nitrobenzene chloride
- o-nitrochlorobenzene
- ONCB
- ortho-chloronitrobenzene
- ortho-nitrochlorobenzene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BFCFYVKQTRLZHA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H |
| IUPAC name chemrof:IUPAC_name | 1-chloro-2-nitrobenzene |
| Molecular formula chemrof:molecular_formula | C6H4ClNO2 |
| Molecular mass chemrof:molecular_mass | 157.556 |
| Monoisotopic mass chemrof:monoisotopic_mass | 156.993056, 156.99306 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1ccccc1Cl |
Known URLs
25Where 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 |
|---|---|---|
| agr | agr:IND605527097 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=88-73-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34270 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.686 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.042.435 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0028 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020280 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36934 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL53330 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D1YI9R2K8O | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245074 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.546G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14407 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14407 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-18106 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6945 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1578 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11823201 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27406223 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28841432 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29175585 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9097109 | enrich_references.chebi_xrefs |
| reaxys | reaxys:509273 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2803418 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-Nitrochlorobenzene | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb2be0-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b039-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| ae113832-e822-4769-be74-7d21d96f464c | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b038-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-b03a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b037-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b035-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b03e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b036-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b03c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9cc8-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b03b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| f0e7cbbcff3975c206b18174be41cdf66a6a65be | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-b03d-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (56 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