4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1… 53764-99-1

Name: 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione
Brand: Vaqora Chemicals
SKU: VQ-024896

About 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione

Vaqora Chemicals supplies 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione, an impurity of Celecoxib registered under CAS number 53764-99-1. With the molecular formula C11H9F3O2, it has a molar mass of 230.18 g/mol. Alternative names: 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione and 3-(3-Methylbenzoyl)-1,1,1-trifluoroacetone.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

As a characterised impurity of Celecoxib, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

We offer 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Celecoxib

View every impurity, metabolite and intermediate we list for Celecoxib.

Celecoxib impurities

Specifications & identifiers

Chemical identifiers
Product name	4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione
Catalogue No.	VQ-024896
CAS Number	53764-99-1
IUPAC name	4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione
Molecular formula	C₁₁H₉F₃O₂
Molecular weight	230.18 g/mol
Exact mass	230.0555
Grade	Reference Standard
HSN code	38229090
InChIKey	VOFWLZQTWRLBTR-UHFFFAOYSA-N
SMILES	CC1=CC(=CC=C1)C(=O)CC(=O)C(F)(F)F
PubChem CID	18624099

Physical properties
Physical form	Solid
LogP (XLogP3)	2.9
H-bond donors / acceptors	0 / 5
TPSA	34.1 Å²
Synonyms	4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione, 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione, 1,1,1-Trifluoro-4-(3'-methylphenyl)butane-2,4-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-, 1-(3-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 3-(3-Methylbenzoyl)-1,1,1-trifluoroacetone, 4,4,4-Trifluoro-1-(m-tolyl)-1,3-butanedione

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione?

The CAS Registry Number of 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione is 53764-99-1. It is also known as 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione, 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione, 1,1,1-Trifluoro-4-(3'-methylphenyl)butane-2,4-dione.

What is the molecular formula and molecular weight of 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione?

4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione.

What is 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione used for?

4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione is supplied as a characterised reference material related to Celecoxib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione can I order?

We supply 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione?

Yes. Every lot of 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione be shipped internationally?

Yes. We export 4,4,4-Trifluoro-1-[3-(methyl)phenyl]-butane-1,3-dione worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.