Consensus flow list

N-(2-methylsulfinyl-1,1-dimethyl-ethyl)-n'-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide

fo-ab9687a8ac3906d8

Identity

Type
Neutral molecule
CAS
371771-07-2
EC
609-338-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(2-methylsulfinyl-1,1-dimethyl-ethyl)-n'-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BMWUVXGFZUPLIC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H23F7N2O3S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-36(4)35/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)
IUPAC name chemrof:IUPAC_name 1,2-Benzenedicarboxamide, N-[1,1-dimethyl-2-(methylsulfinyl)ethyl]-N′-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-
Molecular formula chemrof:molecular_formula C23H23F7N2O3S
Molecular mass chemrof:molecular_mass 540.501
Monoisotopic mass chemrof:monoisotopic_mass 540.131761
SMILES string chemrof:smiles_string Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)=O

Known URLs

5

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=371771-07-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.106.387 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90893387 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22066255 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82871284 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d9bee788-fad7-4330-85ca-3abbcffca7b2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b87c1e5f-47bf-49c9-9640-e5e7477b05cd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
171e2920-7743-476d-9041-7196a9ff86d2 Environmental → Air → Indoor EF 3.1 kg 2
85db3e2e-6df3-4d26-baee-1e302805cddb Environmental → Air → Long-term EF 3.1 kg 0
205ea36e-9e5e-4e3c-a691-b786ff26bf48 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fc66dfd2-4e39-483b-b6a1-be9137c7384b Environmental → Air → Unknown EF 3.1 kg 2
d8681242-3a55-4718-9162-f044b19530aa Environmental → Ground → Agricultural EF 3.1 kg 2
1c838ec5-3aca-47c6-943c-8ca95c80d347 Environmental → Ground → Non-agricultural EF 3.1 kg 2
650c7674-95f2-423b-b96f-3e6fecc9851e Environmental → Ground → Unknown EF 3.1 kg 2
c2b7f20e-b9b2-4de2-9b3c-7dbbf864d965 Environmental → Water → Long-term EF 3.1 kg 0
5b50ab41-9086-42d0-a187-30ba7c95ade1 Environmental → Water → Ocean EF 3.1 kg 2
aa871cd4-fd80-41b3-8f84-10f9c6b8fccf Environmental → Water → Surface water EF 3.1 kg 2
2c80d289-08d4-47f4-b851-24389b3dc383 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-ab9687a8ac3906d8",
  "prefLabel": [
    {
      "@value": "N-(2-methylsulfinyl-1,1-dimethyl-ethyl)-n'-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxamide, N-[1,1-dimethyl-2-(methylsulfinyl)ethyl]-N′-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1,2-Benzenedicarboxamide, N1-[1,1-dimethyl-2-(methylsulfinyl)ethyl]-N2-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-",
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      }
    },
    {
      "@value": "N1-[1,1-Dimethyl-2-(methylsulfinyl)ethyl]-N2-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide",
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}

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