Consensus flow list

2,6-difluorobenzoic Acid

fo-3f178984c6896869

Identity

Type
Neutral molecule
CAS
385-00-2
EC
206-856-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,6-difluorobenzoic Acid

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ONOTYLMNTZNAQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
IUPAC name chemrof:IUPAC_name 2,6-difluorobenzoic Acid
Molecular formula chemrof:molecular_formula C7H4F2O2
Molecular mass chemrof:molecular_mass 158.103
Monoisotopic mass chemrof:monoisotopic_mass 158.017936
SMILES string chemrof:smiles_string O=C(O)c1c(F)cccc1F

Known URLs

8

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=385-00-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.234 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7075391 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=126584 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95B9M9KUY5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J83.346K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9796 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q69757069 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
df1a23c5-6b0b-47b0-b8b6-6789d40a34a2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
573c4925-d34f-48e4-9bfb-e563a4749900 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
22919589-cfda-4236-bd58-84d67e44f390 Environmental → Air → Indoor EF 3.1 kg 2
d951079b-39f0-483a-9441-44050f56b162 Environmental → Air → Long-term EF 3.1 kg 0
ff881ea5-360f-43b1-9a59-dcd3bd20313b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0622a49b-6ff4-46b7-998a-2cfddee7034b Environmental → Air → Unknown EF 3.1 kg 2
2716c271-0a0b-4a57-8160-896257badeff Environmental → Ground → Agricultural EF 3.1 kg 2
a0ff1f94-449c-4019-a619-7eb9875d60cf Environmental → Ground → Non-agricultural EF 3.1 kg 2
e1798a73-c03d-4ae8-a8ff-5384849e1193 Environmental → Ground → Unknown EF 3.1 kg 2
3022af00-21bb-4e0f-9a6a-821321471dda Environmental → Water → Long-term EF 3.1 kg 0
e6c8da10-5199-42aa-a488-be0eb41f5ad2 Environmental → Water → Ocean EF 3.1 kg 2
b6f5e27d-e471-4f05-9197-2accf4345a5b Environmental → Water → Surface water EF 3.1 kg 2
39e8958b-520e-401a-b0f7-71dbad2e4627 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-3f178984c6896869",
  "prefLabel": [
    {
      "@value": "2,6-difluorobenzoic Acid",
      "@language": "en",
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    }
  ],
  "altLabel": [
    {
      "@value": "Benzoic acid, 2,6-difluoro-",
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  "properties": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "attested_by": {
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      },
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  },
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}

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