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

Name: 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
Brand: Zemixal
SKU: ZX-021158

Reference StandardAvailable on request

Buy 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 720-94-5) from Zemixal: C11H9F3O2, COA and SDS with every lot, worldwide shipping.

Pack sizes

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione chemical structure

CAS number720-94-5

FormulaC₁₁H₉F₃O₂

Molar mass230.18 g/mol

Physical formSolid

HS code38229090

InChIKeyWRZMHTIRFOFFPY-UHFFFAOYSA-N

IUPAC name4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione

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

Zemixal lists 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione for laboratories that identify, quantify or control Celecoxib and its related substances. Key data (Reference Standard): CAS 720-94-5, formula C11H9F3O2 and molar mass 230.18 g/mol. It is handled as a solid.

Common uses in the lab and plant

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

Handling and storage

Classified under GHS with signal word Danger and hazard statements H302, H315, H317 and H318. Read the SDS before first use.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Each lot travels with a certificate of analysis with characterisation data. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Reference standards for Celecoxib

See every impurity, metabolite and related compound we list for this API.

Celecoxib standards

Typical uses

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

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
Product name	1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
Catalogue number	ZX-021158
CAS number	720-94-5
IUPAC name	4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
Molecular formula	C₁₁H₉F₃O₂
Molar mass	230.18 g/mol
Exact mass	230.0555
Grade	Reference Standard
Physical form	Solid
XLogP3	2.9
H-bond donors / acceptors	0 / 5
Topological polar surface area	34.1 Å²
HS code	38229090
InChIKey	WRZMHTIRFOFFPY-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
PubChem CID	550193
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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

Corrosive

Irritant or harmful

Hazardous to the environment

Signal word Danger

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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione

Which CAS number identifies 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione is registered under CAS 720-94-5. You may also see it listed 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. Our catalogue number for this item is ZX-021158.

What are the formula and molar mass of 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

For 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione, its formula is C11H9F3O2 and its molar mass is 230.18 g/mol. The systematic (IUPAC) name is 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione. InChIKey WRZMHTIRFOFFPY-UHFFFAOYSA-N lets you match it in any structure database.

How is 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione used in pharmaceutical QC?

1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione is a characterised reference material linked to Celecoxib. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available for 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come with 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione?

Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.

Can Zemixal ship 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione to my country?

Yes. Because 1-(4-MethylPhenyl)-4,4,4-trifluorobutane-1,3-dione is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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