Chemical identity

Celecoxib Inhouse Impurity CAS 53764-99-1

CAS 53764-99-1 · C11H9F3O2

01Identity

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

Lazychem IDLC-10250
PubChem CID18624099
NameCelecoxib Inhouse Impurity CAS 53764-99-1
CAS RN53764-99-1
Molecular formulaC11H9F3O2
Molecular weight230.18
IUPAC name4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione
InChIKeyVOFWLZQTWRLBTR-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 18624099
Two-dimensional chemical structure of Celecoxib Inhouse Impurity CAS 53764-99-1, CAS 53764-99-1
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(=CC=C1)C(=O)CC(=O)C(F)(F)F
InChINot listed
Formula from structureC11H9F3O2
Molecular weight from structure230.18

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 53764-99-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 53764-99-1 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
  • 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione
  • 53764-99-1
  • 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione
  • 4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione
  • MFCD11849497
  • 1,1,1-Trifluoro-4-(3'-methylphenyl)butane-2,4-dione
  • Moxifloxacin Impurity 14
  • Moxifloxacin Impurity 55
  • 7QCX472V3H
  • SCHEMBL1924595
  • 1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-

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