4-nitro-N-phenylaniline
fo-d42512e5efc97793
Identity
- Type
- Neutral molecule
- CAS
- 836-30-6
- EC
- 212-646-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 63 across every transformer
Structure
Alternative labels
13- (4-Nitrophenyl)phenylamine
- 4-Nitro-N-phenylbenzenamine
- 4-Nitrodiphenylamine
- Benzenamine, 4-nitro-N-phenyl-
- Diphenylamine, 4-nitro-
- N-(4-Nitrophenyl)aniline
- N-(4-Nitrophenyl)benzenamine
- N-(p-Nitrophenyl)aniline
- N-Phenyl-4-nitroaniline
- N-Phenyl-4-nitrobenzenamine
- N-Phenyl-p-nitroaniline
- p-Nitrodiphenylamine
- Phenyl(4-nitrophenyl)amine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XXYMSQQCBUKFHE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H |
| IUPAC name chemrof:IUPAC_name | 4-nitro-N-phenylaniline, (4-Nitrophenyl)phenylamine |
| Molecular formula chemrof:molecular_formula | C12H10N2O2 |
| Molecular mass chemrof:molecular_mass | 214.224 |
| Monoisotopic mass chemrof:monoisotopic_mass | 214.074228 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1ccc(Nc2ccccc2)cc1 |
Known URLs
11Where 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=836-30-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.497 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0804 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027323 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33836 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1323785 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5ZOC179N5D | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.267A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13271 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1325 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q230012 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fc5c3b08-0696-4702-913e-f7876a9b1996 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6170e852-3160-4352-991e-0d5bfca36506 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cf879ad3-33e5-41a9-abcb-67d4e94f02eb | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 64f9ae34-bb4a-461c-a2ec-f08172d604c4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e2e99ffa-ce89-40d0-a411-5f5a606558d5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 411c6d3e-dc40-4128-bbd2-6fe454e456f9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d8e3f221-3f58-42ff-8cd2-d6ac1e51f3c0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a203752f-145b-4c16-93ad-090b3b0db511 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 0d9a1fcd-e4c8-4557-a911-8335fe7a093f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 9e0d0b0d-82dd-4231-ade7-20f50ce7bf94 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2c9d1e71-f94c-40e2-9906-cc39fa84d242 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b3d2d55a-be0e-4dd8-9bbf-99a34fe644e6 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8e8e1f04-330e-46e6-8b60-5c3e4bba7c01 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (63 changes)
Full record
Flow object JSON
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"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"836-30-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=836-30-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=836-30-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"212-646-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=212-646-2"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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