53764-99-1

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53764-99-1 Structure

Identification	Back Directory
[Name] 4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE
[CAS] 53764-99-1
[Synonyms] 4,4,4-trifluoro-1-(M-tolyl)butane-1,3-dione 4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione 4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE 1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)- 4,4,4-trifluoro-1 - (m-methylphenyl) butane-1,3-dione
[Molecular Formula] C11H9F3O2
[MDL Number] MFCD11849497
[MOL File] 53764-99-1.mol
[Molecular Weight] 230.18

Chemical Properties	Back Directory
[Boiling point ] 270.2±35.0 °C(Predicted)
[density ] 1.252±0.06 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ] Oil
[pka] 5.73±0.23(Predicted)
[color ] Pale Brown

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319-H335
[Precautionary statements ] P260-P280-P312

Hazard Information	Back Directory
[Uses] 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione is an intermediate in the synthesis of 4-Desmethyl-3-methyl Celecoxib (D293040). 4-Desmethyl-3-methyl Celecoxib is a meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound A.

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