Consensus flow list

Identity

Type
NeutralMolecule
CAS
119895-68-0
EC
700-476-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2-difluoro-benzo[1,3]dioxole-4-carbaldehyde

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NIBFJPXGNVPNHK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
IUPAC name chemrof:IUPAC_name 2,2-difluoro-benzo[1,3]dioxole-4-carbaldehyde
Molecular formula chemrof:molecular_formula C8H4F2O3
Molecular mass chemrof:molecular_mass 186.113
Monoisotopic mass chemrof:monoisotopic_mass 186.01285
SMILES string chemrof:smiles_string O=Cc1cccc2c1OC(F)(F)O2

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=119895-68-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.268 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90371736 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.878.320G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2736970 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72462492 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
689b89a3-04a3-46aa-815a-deb39a59a391 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0e0bf72f-693e-4311-be80-0a96c2840c7a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
11fe3956-daa1-43b5-94d4-e6a1ef745d84 Environmental → Air → Indoor EF 3.1 kg 2
0e9f064d-6341-49a2-adbb-a7103272bb93 Environmental → Air → Long-term EF 3.1 kg 0
0811acfe-819c-4c19-a7e2-cd78d50f8c93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0671a621-d911-4efe-8456-544337c0cd46 Environmental → Air → Unknown EF 3.1 kg 2
8ac931eb-2570-4fac-ae2b-25246f3175f6 Environmental → Ground → Agricultural EF 3.1 kg 2
0c95db95-1687-4e82-99aa-95ee62236f1e Environmental → Ground → Non-agricultural EF 3.1 kg 2
94f72473-3b3d-4487-90cd-103d978bfda4 Environmental → Ground → Unknown EF 3.1 kg 2
96759ef1-0c90-4366-9636-1bd48752b728 Environmental → Water → Long-term EF 3.1 kg 0
71c25e0f-979d-4d03-b91b-de7ed4eb4a2c Environmental → Water → Ocean EF 3.1 kg 2
6385e7d8-6939-4522-a152-2982e72ee1a0 Environmental → Water → Surface water EF 3.1 kg 2
d9feaf58-47c3-48df-9caa-511bfe0cee9b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dd0ab0b8e30befa2",
  "prefLabel": [
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      "@value": "2,2-difluoro-benzo[1,3]dioxole-4-carbaldehyde",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "2,2-Difluoro-1,3-benzodioxol-4-aldehyde",
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    {
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    },
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    },
    {
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    },
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  "references": [
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}

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