Consensus flow list

Identity

Type
Neutral molecule
CAS
89-63-4
EC
201-925-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-chloro-2-nitroaniline

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PBGKNXWGYQPUJK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
IUPAC name chemrof:IUPAC_name 4-chloro-2-nitroaniline
Molecular formula chemrof:molecular_formula C6H5ClN2O2
Molecular mass chemrof:molecular_mass 172.571
Monoisotopic mass chemrof:monoisotopic_mass 172.003955
SMILES string chemrof:smiles_string Nc1ccc(Cl)cc1[N+](=O)[O-]

Known URLs

10

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=89-63-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.751 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4030384 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3546 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166405 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1929LY233C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.549A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6979 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2237 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27252057 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a298f978-3d34-48ab-b702-1f13608c5648 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
618b5448-a12b-477f-98a8-6768da42fe28 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5d3eda0b-fb27-4a7a-a5e8-47243dbfba30 Environmental → Air → Indoor EF 3.1 kg 2
1e79b93d-a8c1-48a0-8882-445c4a3b697f Environmental → Air → Long-term EF 3.1 kg 0
514be571-26d4-4683-8dcf-2f2d18dc1413 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8bc118bd-b1c6-4174-bf70-84126271a1ff Environmental → Air → Unknown EF 3.1 kg 2
a7a240e2-48b4-426a-859a-8f78c58f5748 Environmental → Ground → Agricultural EF 3.1 kg 2
55e19331-c9ca-4883-b337-52718b7991c7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7600d3d7-6bea-45a9-80e9-77bda51df7ca Environmental → Ground → Unknown EF 3.1 kg 2
2a6f20df-1a32-4f88-a7b0-86d2925b1500 Environmental → Water → Long-term EF 3.1 kg 0
f04b869d-3ba8-411b-acf9-f321b7350a26 Environmental → Water → Ocean EF 3.1 kg 2
ca8c6513-38d5-48d2-8afd-36611f2d4f77 Environmental → Water → Surface water EF 3.1 kg 2
443c7bcd-3cb3-47a0-a151-9989cf38a824 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-859f65bca7860f68",
  "prefLabel": [
    {
      "@value": "4-chloro-2-nitroaniline",
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  ],
  "altLabel": [
    {
      "@value": "(4-Chloro-2-nitrophenyl)amine",
      "@language": "en",
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    },
    {
      "@value": "1-Amino-2-nitro-4-chlorobenzene",
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    },
    {
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    {
      "@value": "Aniline, 4-chloro-2-nitro-",
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      "@value": "Azoene Fast Red 3GL Base",
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      "@value": "Benzenamine, 4-chloro-2-nitro-",
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    {
      "@value": "Fast Red 3GL Special Base",
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      "@value": "Kayaku Fast Red 3GL Base",
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    {
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    },
    {
      "@value": "Naphthanil Red 3G Base",
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      "@value": "PCON",
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      "@value": "Red Base Ciba VI",
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      "@value": "Red Base Irga VI",
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    {
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  ],
  "properties": {
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        "C6H5ClN2O2"
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      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PBGKNXWGYQPUJK-UHFFFAOYSA-N"
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    },
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    "https://w3id.org/chemrof/molecular_mass": {
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