Consensus flow list

Identity

Type
Molecular complex
CAS
20265-96-7
EC
243-656-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for P-chloroaniline Hydrochloride

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ISJBQSJDQZLCSF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
IUPAC name chemrof:IUPAC_name 4-Chloroaniline hydrochloride
Molecular formula chemrof:molecular_formula C6H7Cl2N
Molecular mass chemrof:molecular_mass 164.035
Monoisotopic mass chemrof:monoisotopic_mass 162.995555
SMILES string chemrof:smiles_string Cl.Nc1ccc(Cl)cc1

Known URLs

9

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=20265-96-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.672 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020296 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188137 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PO3W01CFSW enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12593231 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30084 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284363 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27286666 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4cb438-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-8ca7-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9d33a127-00c7-433b-844b-654d737d11fc Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-8ca6-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8ca8-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-8ca5-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-8ca3-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9d96-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-8ca4-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9d94-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d97-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9d93-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9d95-0050c2490048 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-35d5ab45a6f2e09a",
  "prefLabel": [
    {
      "@value": "P-chloroaniline Hydrochloride",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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      "@value": "4-Chloroaniline hydrochloride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "4-Chloroaniline monohydrochloride",
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      "@lang": "en",
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    },
    {
      "@value": "4-Chloroanilinium chloride",
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        ],
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      }
    },
    {
      "@value": "4-Chlorobenzenamine hydrochloride",
      "@language": "en",
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    {
      "@value": "4-Chlorophenylammonium chloride",
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    {
      "@value": "Aniline, p-chloro-, hydrochloride",
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    {
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