Consensus flow list

Identity

Type
Neutral molecule
CAS
618-62-2
EC
210-557-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,5-dichloronitrobenzene

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RNABGKOKSBUFHW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
IUPAC name chemrof:IUPAC_name 3,5-dichloronitrobenzene
Molecular formula chemrof:molecular_formula C6H3Cl2NO2
Molecular mass chemrof:molecular_mass 192.001
Monoisotopic mass chemrof:monoisotopic_mass 190.954084
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(Cl)cc(Cl)c1

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=618-62-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.599 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0255 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1060683 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53841 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60642 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4VSD7Q7FUH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.085K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12064 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2006789 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
28a819da-4cad-4c88-a135-e511b48c8de3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f6e735e4-a4d5-4875-b529-9a5b10036344 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
413867f4-5e73-4738-80cf-e72ce99db4e1 Environmental → Air → Indoor EF 3.1 kg 2
eefc4aed-c5f5-47e4-9b6c-60be4d981716 Environmental → Air → Long-term EF 3.1 kg 0
e544d841-8b05-433c-91b8-97a070a1117a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a83846cd-da56-4f4d-8b00-ca3e4af142f0 Environmental → Air → Unknown EF 3.1 kg 2
af504cf1-0bd6-4baa-9170-ecdd206c54f4 Environmental → Ground → Agricultural EF 3.1 kg 2
878aac05-8ba2-470c-b66e-e9a509cc8fee Environmental → Ground → Non-agricultural EF 3.1 kg 2
61270632-1309-447d-995d-edf900e3dd2d Environmental → Ground → Unknown EF 3.1 kg 2
690b4090-980d-4004-8d5f-9ea940969aac Environmental → Water → Long-term EF 3.1 kg 0
a96a4c12-4bc8-4312-be8d-f6147a24e902 Environmental → Water → Ocean EF 3.1 kg 2
590fe327-ecc6-4687-9b00-8781a443cd69 Environmental → Water → Surface water EF 3.1 kg 2
b42907e8-0898-4a95-a76c-cb85bd388c89 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-2f5acafc8358a4f1",
  "prefLabel": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dichloro-5-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dichloro-1-nitrobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Benzene, 1,3-dichloro-5-nitro-",
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}

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