4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1… 163266-02-2

Name: 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione
Brand: Vaqora Chemicals
SKU: VQ-029722

About 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione

Vaqora Chemicals supplies 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione, an impurity of Celecoxib registered under CAS number 163266-02-2. Its molecular formula is C11H9F3O2 and its molecular weight is 230.18 g/mol. It is also known as 4,4,4-Trifluoro-1-(o-tolyl)butane-1,3-dione or 1-(2-Methylbenzoyl)-3,3,3-trifluoroacetone.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Good laboratory practice and suitable PPE are recommended during handling.

Pharmaceutical QC and development laboratories use this impurity standard of Celecoxib to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer 4,4,4-Trifluoro-1-[2-(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-[2-(methyl)phenyl]-butane-1,3-dione
Catalogue No.	VQ-029722
CAS Number	163266-02-2
IUPAC name	4,4,4-trifluoro-1-(2-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	NSWJGKUEKYWEEF-UHFFFAOYSA-N
SMILES	CC1=CC=CC=C1C(=O)CC(=O)C(F)(F)F
PubChem CID	15772021

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-(o-tolyl)butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-, 4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione, 1-(2-Methylbenzoyl)-3,3,3-trifluoroacetone, 3-(2-Methylbenzoyl)-1,1,1-trifluoroacetone, 4,4,4-Trifluoro-1-(o-tolyl)-1,3-butanedione, 1-(2-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 4,4,4-trifluoro-1 - (o-methylphenyl) butane-1,3-dione

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-[2-(methyl)phenyl]-butane-1,3-dione?

The CAS Registry Number of 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione is 163266-02-2. It is also known as 4,4,4-Trifluoro-1-(o-tolyl)butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-, 4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione.

What is the molecular formula and molecular weight of 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione?

4,4,4-Trifluoro-1-[2-(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-(2-methylphenyl)butane-1,3-dione.

What is 4,4,4-Trifluoro-1-[2-(methyl)phenyl]-butane-1,3-dione used for?

4,4,4-Trifluoro-1-[2-(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-[2-(methyl)phenyl]-butane-1,3-dione can I order?

We supply 4,4,4-Trifluoro-1-[2-(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-[2-(methyl)phenyl]-butane-1,3-dione?

Yes. Every lot of 4,4,4-Trifluoro-1-[2-(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-[2-(methyl)phenyl]-butane-1,3-dione be shipped internationally?

Yes. We export 4,4,4-Trifluoro-1-[2-(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.