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2-nitro-1,4-benzenediamine

fo-c83f867d1984f3d0

Identity

Type
Neutral molecule
CAS
5307-14-2
EC
226-164-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-nitro-1,4-benzenediamine

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HVHNMNGARPCGGD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2
IUPAC name chemrof:IUPAC_name 2-nitro-1,4-benzenediamine
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)c([N+](=O)[O-])c1

Known URLs

26

Where 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=183870-67-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5307-14-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76394 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.786 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1542 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020957 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5377 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL353971 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PV83F3C01Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.720F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19385 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19385 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4338370 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/10873714 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12799694 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19469988 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2049801 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3594688 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/520983 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6827626 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7327475 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7330774 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9465934 enrich_references.chebi_xrefs
reaxys reaxys:2210195 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q26840737 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1f3199b4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d0a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f248a0fa-84b7-46d8-9cac-7a0d1aeb8c39 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d09-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d0b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d08-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d06-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9ce1-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d07-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d0d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9ce2-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9d0c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
5aacf6ac7c5724aeae548d51e019f80bd23f0d6a Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9d0e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c83f867d1984f3d0",
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  ],
  "altLabel": [
    {
      "@value": "1,4-Benzenediamine, 2-nitro-",
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    },
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      "@value": "1,4-diamino-2-nitrobenzene",
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    {
      "@value": "1,4-Diaminonitrobenzol",
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    {
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    },
    {
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    },
    {
      "@value": "2-nitro-4-aminoaniline",
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    },
    {
      "@value": "2-Nitro-p-phenylenediamine",
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    },
    {
      "@value": "2-nitrobenzene-1,4-diamine",
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      }
    },
    {
      "@value": "2-NPPD",
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    },
    {
      "@value": "4-amino-2-nitroaniline",
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    {
      "@value": "C.I. Oxidation Base 22",
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    },
    {
      "@value": "Durafur Brown 2R",
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      }
    },
    {
      "@value": "Fouramine 2R",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fourrine 36",
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    },
    {
      "@value": "Fourrine Brown 2R",
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    },
    {
      "@value": "nitro-p-phenylenediamine",
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    },
    {
      "@value": "o-nitro-p-phenylenediamine",
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      }
    },
    {
      "@value": "p-Phenylenediamine, 2-nitro-",
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    {
      "@value": "p-Phenylenediamine, nitro-",
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    },
    {
      "@value": "Ursol Brown RR",
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    },
    {
      "@value": "Zoba Brown RR",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenediamine, 2-nitro-1,4-",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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