Chemical identity

1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

CAS 720-94-5 · C11H9F3O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-01122
PubChem CID550193
Name1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
CAS RN720-94-5
Molecular formulaC11H9F3O2
Molecular weight230.18 g/mol
IUPAC name1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
InChIKeyWRZMHTIRFOFFPY-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 550193
Two-dimensional chemical structure of 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, CAS 720-94-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
InChINot listed
Formula from structureC11H9F3O2
Molecular weight from structure230.18 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 720-94-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 720-94-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Celecoxib

View API and impurity family

Other names

  • Celecoxib Inhouse Impurity F
  • Celecoxib Related compound 04

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources