Consensus flow list

2,2,2-trifluoro-n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide

fo-9b10c70fae5b8791

Identity

Type
NeutralMolecule
CAS
42011-48-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2,2-trifluoro-n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GMHPROGCQPQRLG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H4F3N3O4S/c10-9(11,12)7(16)14-8-13-4(3-20-8)5-1-2-6(19-5)15(17)18/h1-3H,(H,13,14,16)
IUPAC name chemrof:IUPAC_name 2,2,2-Trifluoro-N-[4-(5-nitro-2-furanyl)-2-thiazolyl]acetamide
Molecular formula chemrof:molecular_formula C9H4F3N3O4S
Molecular mass chemrof:molecular_mass 307.209
Monoisotopic mass chemrof:monoisotopic_mass 306.987461
SMILES string chemrof:smiles_string O=C(Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1)C(F)(F)F

Known URLs

7

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=42011-48-3 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021394 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL407580 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MN4L37C4G4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.048K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/39078 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983749 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d507f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad25-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
37685408-e89c-4ae9-90d0-719979973020 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9a25-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ad26-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9a24-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9a22-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad2a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9a23-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad28-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ad2b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad27-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad29-0050c2490048 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-9b10c70fae5b8791",
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      "@value": "2,2,2-trifluoro-n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide",
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  "altLabel": [
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    },
    {
      "@value": "2,2,2-Trifluoro-N-[4-(5-nitro-2-furyl)-2-thiazolyl]lacetamide",
      "@language": "en",
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    {
      "@value": "2,2,2-Trifluoro-N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide",
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    {
      "@value": "Acetamide, 2,2,2-trifluoro-N-[4-(5-nitro-2-furanyl)-2-thiazolyl]-",
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}

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