4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione

(4-Methylbenzoyl)trifluoroacetone
1,1,1-Trifluoro-4-(4-methylphenyl)-2,4-butanedione
1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-
1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-
1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione
4,4,4-Trifluoro-1-(4-tolyl)-1,3-butanedione
4,4,4-Trifluoro-1-(p-tolyl)butan-1,3-dione
4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
4-(4-Methylphenyl)-1,1,1-trifluorobutane-2,4-dione
4-Methyl-1-(4,4,4-trifluoro-3-oxobutanoyl)benzene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WRZMHTIRFOFFPY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
IUPAC name chemrof:IUPAC_name	4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
Molecular formula chemrof:molecular_formula	C11H9F3O2
Molecular mass chemrof:molecular_mass	230.185
Monoisotopic mass chemrof:monoisotopic_mass	230.055464
SMILES string chemrof:smiles_string	Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

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=720-94-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.106.243	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00338613	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/599J6Q8THK	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.325.932A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/550193	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=489903	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q72495457	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e4cd5d67-9a72-4c9e-983c-6af6c776785c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d421cf1f-cf7a-41c3-9919-32cdbeb3602e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a4e08724-5796-49d3-9ce8-5d3db191233d	Environmental → Air → Indoor	EF 3.1	kg	2
4f5512b8-f02c-4901-8cd8-397c1552b989	Environmental → Air → Long-term	EF 3.1	kg	0
c1a90129-6e7b-40f0-9030-ed588017ae4f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a93394b2-53ce-45aa-a04c-9febaf688920	Environmental → Air → Unknown	EF 3.1	kg	2
d89a9b52-3a35-4145-b8a9-72cb69b8e980	Environmental → Ground → Agricultural	EF 3.1	kg	2
4f88e111-38d0-4ff1-8e10-708d515286fc	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5d12ce6b-5116-409e-ae4b-aae258d4ce7e	Environmental → Ground → Unknown	EF 3.1	kg	2
eee98467-3e6b-4db6-b9a1-505b64a6fd8b	Environmental → Water → Long-term	EF 3.1	kg	0
97597085-fae3-43b4-bda8-8ce45487981e	Environmental → Water → Ocean	EF 3.1	kg	2
09b6fe79-1801-475f-a920-57306a593399	Environmental → Water → Surface water	EF 3.1	kg	2
9a9296cc-4953-428b-9a21-6a936bba5383	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "615-712-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=615-712-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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