1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-… 720-94-5

Name: 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
Brand: Vaqora Chemicals
SKU: VQ-022126

About 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 720-94-5) is an impurity of Celecoxib offered by Vaqora Chemicals. The compound has the formula C11H9F3O2, corresponding to a molecular weight of 230.18 g/mol. The IUPAC name is 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione. It is also known as 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione or 4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione.

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. It carries the GHS signal word “Danger” with 10 hazard statements. Review the Safety Data Sheet before use.

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. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export 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	1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
Catalogue No.	VQ-022126
CAS Number	720-94-5
IUPAC name	4,4,4-trifluoro-1-(4-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	WRZMHTIRFOFFPY-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
PubChem CID	550193

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-(p-tolyl)butane-1,3-dione, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-, 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione, 4,4,4-trifluoro-1-p-tolylbutane-1,3-dione, 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione, 4,4,4-trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-, 1-(4-Methylphenyl)-4,4,4-triflurobutane-1,3-dione, 3-(4-methylbenzoyl)-1,1,1-trifluoroacetone

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Environmental hazard

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H319Causes serious eye irritation
H335May cause respiratory irritation
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
H411Toxic to aquatic life with long lasting effects
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P261, P264, P264 + P265, P270, P271, P272, P273, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P305 + P354 + P338, P317, P319, P321, P330, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P391, P403 + P233, P405

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

The CAS Registry Number of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione is 720-94-5. It is also known as 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione.

What is the molecular formula and molecular weight of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-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-(4-methylphenyl)butane-1,3-dione.

What is 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione used for?

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-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 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione can I order?

We supply 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-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 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

Yes. Every lot of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-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 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione be shipped internationally?

Yes. 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.