2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy… 912654-91-2

Name: 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione
Brand: Vaqora Chemicals
SKU: VQ-042402

About 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione

2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione is a metabolite or degradation product of Tembotrione carrying the CAS registry number 912654-91-2. Its molecular formula is C17H16ClF3O8S and its molecular weight is 472.8 g/mol. The IUPAC name is 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione. Alternative names: Tembotrione-4,6-dihydroxy.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

It is used in metabolite identification, stability-indicating method development and impurity profiling of Tembotrione, as well as in QC testing and ANDA/DMF documentation. It is used across pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling
Agrochemical formulations

Industries

Related to Tembotrione

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

Tembotrione impurities

Specifications & identifiers

Chemical identifiers
Product name	2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione
Catalogue No.	VQ-042402
CAS Number	912654-91-2
IUPAC name	2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione
Molecular formula	C₁₇H₁₆ClF₃O₈S
Molecular weight	472.8 g/mol
Exact mass	472.0207
Grade	Reference Standard
HSN code	38229090
InChIKey	KGPIRVWYAUCFAI-UHFFFAOYSA-N
SMILES	CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)C(CC(C2=O)O)O)Cl)COCC(F)(F)F
PubChem CID	71312470

Physical properties
Physical form	Solid
LogP (XLogP3)	1.1
H-bond donors / acceptors	2 / 11
TPSA	143 Å²

Safety & hazard information (GHS)

Harmful / irritant

Environmental hazard

Signal word: Warning

Hazard statements

H317May cause an allergic skin reaction
H400Very toxic to aquatic life

Precautionary statements: P261, P272, P273, P280, P302 + P352, P321, P333 + P317, P362 + P364, P391, P501

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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione?

The CAS Registry Number of 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione is 912654-91-2. It is also known as Tembotrione-4,6-dihydroxy.

What is the molecular formula and molecular weight of 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione?

2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione has the molecular formula C17H16ClF3O8S and a molecular weight of 472.8 g/mol. Its IUPAC name is 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione.

What is 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione used for?

2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione is supplied as a characterised reference material related to Tembotrione. 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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione can I order?

We supply 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione?

Yes. Every lot of 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione be shipped internationally?

Yes. 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-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.