Consensus flow list

Identity

Type
Neutral molecule
CAS
877179-04-9
EC
700-287-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3',4'-dichloro-5-fluorobiphenyl-2-amine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QUVGVAKQHNJQNN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2
IUPAC name chemrof:IUPAC_name 3',4'-dichloro-5-fluorobiphenyl-2-amine
Molecular formula chemrof:molecular_formula C12H8Cl2FN
Molecular mass chemrof:molecular_mass 256.107
Monoisotopic mass chemrof:monoisotopic_mass 255.001783
SMILES string chemrof:smiles_string Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1

Known URLs

6

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=877179-04-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.925 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60468783 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.332.287I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11572419 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72466253 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8497479d-feff-4f38-b44b-688bfeebc899 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f7b5a6dd-2a89-4e01-9f0c-cd15fde4037b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8f96f13d-4f11-408c-9181-1c14c2be863a Environmental → Air → Indoor EF 3.1 kg 2
aca535c7-d011-4e8d-ae3d-b7b4ebb0ddb1 Environmental → Air → Long-term EF 3.1 kg 0
8bdd5515-c74f-453f-92fa-672fbc89b736 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ff278043-143c-4632-a493-9847b6967132 Environmental → Air → Unknown EF 3.1 kg 2
e7f23ed3-26df-4b9d-9caa-d1b7a363c82e Environmental → Ground → Agricultural EF 3.1 kg 2
4508930c-8219-4876-ac33-b60f0258c042 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cb37c5d0-37c5-480c-bf1b-c0e317741fe2 Environmental → Ground → Unknown EF 3.1 kg 2
956a7a00-c5ac-4b40-9e5a-ee58b1d8f23a Environmental → Water → Long-term EF 3.1 kg 0
e572759c-18d8-414c-b7eb-3dce4d5f8175 Environmental → Water → Ocean EF 3.1 kg 2
d5c0a530-7c46-4e46-88b1-6995a96af8f7 Environmental → Water → Surface water EF 3.1 kg 2
70fee867-dc06-4fa1-be4b-1b27b0fedaa8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-724bf794e8c7570d",
  "prefLabel": [
    {
      "@value": "3',4'-dichloro-5-fluorobiphenyl-2-amine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(3,4-Dichlorophenyl)-4-fluoroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "3′,4′-Dichloro-2-amino-5-fluorobiphenyl",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′,4′-Dichloro-5-fluoro[1,1′-biphenyl]-2-amine",
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    {
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    },
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    },
    {
      "@value": "[1,1′-Biphenyl]-2-amine, 3′,4′-dichloro-5-fluoro-",
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}

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