4-Nitro-1,2-phenylenediamine
fo-8e92f111f967302a
Identity
- Type
- Neutral molecule
- CAS
- 99-56-9
- EC
- 202-766-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
14- (2-Amino-4-nitrophenyl)amine
- 1,2-Benzenediamine, 4-nitro-
- 1,2-Diamino-4-nitrobenzene
- 2-Amino-4-nitroaniline
- 2-Amino-5-nitroaniline
- 3,4-Diaminonitrobenzene
- 4-Nitro-1,2-benzenediamine
- 4-Nitro-1,2-diaminobenzene
- 4-Nitro-2-aminoaniline
- 4-nitro-o-phenylenediamine
- 4-nitrobenzene-1,2-diamine
- o-Phenylenediamine, 4-nitro-
- p-nitro-o-phenylendiamine
- p-nitro-o-phenylenediamine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RAUWPNXIALNKQM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2 |
| IUPAC name chemrof:IUPAC_name | 4-Nitro-1,2-phenylenediamine |
| Molecular formula chemrof:molecular_formula | C6H7N3O2 |
| Molecular mass chemrof:molecular_mass | 153.141 |
| Monoisotopic mass chemrof:monoisotopic_mass | 153.053826, 153.05383 |
| SMILES string chemrof:smiles_string | Nc1ccc([N+](=O)[O-])cc1N |
Known URLs
20Where 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=99-56-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67116 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.515 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1543 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9020958 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5378 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL433721 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5A9AX7Y0TT | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246528 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.993D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19384 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19384 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=64923 | enrich_references.pubchem_identifier_url |
| patent | patent:KR20080065716 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5111791 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1673 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1650428 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2682235 | enrich_references.chebi_xrefs |
| reaxys | reaxys:608106 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q5649571 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 802993ae-675c-4e70-8d7e-29de587bb9c0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 46bcfd75-8b32-4f85-8580-04c8552e9f7a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 780b17d6-d4c4-457f-9b0b-b221a015e824 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 8cee7ddf-2507-4977-a734-7e77660e4478 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2a080b7e-9473-4588-866c-a598cdbbe277 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7639d92e-dfc6-4fd4-ba54-0f1e3b2883a9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 56be7e6e-cd8d-4122-b21b-e9ac483e6121 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 93e745a6-23ab-4a19-b079-c9d5675e92f6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6c2b2b69-4762-4ed2-8bde-0ed86b9c9e59 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 999cc930-97c3-4138-bdf4-0076a8c0837b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 05b57cd8-566b-4777-8022-ce160b7a628e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 747b3560-7146-4735-85cf-df2c88707b62 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cdcc92da-8e48-4402-867a-c903e884e9eb | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 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