2-nitro-p-cresol
fo-c650db5d5250d345
Identity
- Type
- Neutral molecule
- CAS
- 119-33-5
- EC
- 204-315-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 2-Nitro-4-methylphenol
- 4-Hydroxy-3-nitrotoluene
- 4-Methyl-2-nitrophenol
- o-Nitro-p-methylphenol
- p-Cresol, 2-nitro-
- Phenol, 4-methyl-2-nitro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SYDNSSSQVSOXTN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-nitro-p-cresol |
| Molecular formula chemrof:molecular_formula | C7H7NO3 |
| Molecular mass chemrof:molecular_mass | 153.137 |
| Monoisotopic mass chemrof:monoisotopic_mass | 153.042593 |
| SMILES string chemrof:smiles_string | Cc1ccc(O)c([N+](=O)[O-])c1 |
Known URLs
14Where 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=119-33-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.923 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0026961 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04110 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5387 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66511 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234658 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P92KPK2NL3 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059811 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.829F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148583 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1234658 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8391 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27094955 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 334de25b-cfa0-4e86-98cb-e09a43d1cee3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b48279ef-dfc9-45d9-95d8-a8815c217a6b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 51930776-c407-46e6-8e77-b7e34e455456 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a37905c8-ec02-4042-a940-619a7bd932f6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d4b616d3-802a-42ea-b076-0671194107ca | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d59ca107-e30e-4e2a-9946-cee727e9ad19 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ea9dad76-5be6-46a1-8271-ad91efbf290b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3f181ed9-cb47-4ccc-9455-29b61fbd7da7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2f40b1b8-98ab-4559-b478-a1cf75bb2ae4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 346ce7ae-4be4-4a8d-b66f-ca07022fb021 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 77bd1d28-8b23-4c23-94fa-c6d9ffc0ce38 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 881cc393-ec04-4736-b57e-e692df61ff0d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6869213f-c1d5-410c-8500-901c9292adbd | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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