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

Name: 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione
Brand: Zemixal
SKU: ZX-036253

Reference StandardAvailable on request

2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione (CAS 912654-91-2) supplier Zemixal…

Pack sizes

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

CAS number912654-91-2

FormulaC₁₇H₁₆ClF₃O₈S

Molar mass472.8 g/mol

Physical formSolid

HS code38229090

InChIKeyKGPIRVWYAUCFAI-UHFFFAOYSA-N

IUPAC name2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione

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 belongs to the Tembotrione reference-standard family in the Zemixal catalogue. Identity at a glance (Reference Standard): CAS 912654-91-2, formula C17H16ClF3O8S and molar mass 472.8 g/mol. It is handled as a solid.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling
Agrochemical formulations

Storage and safety notes

Classified under GHS with signal word Warning and hazard statements H317 and H400. Read the SDS before first use.

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Every shipment includes a certificate of analysis with characterisation data. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Tembotrione

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

Tembotrione standards

Typical uses

Metabolite identification
Stability-indicating methods
Impurity profiling
Agrochemical formulations

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione
Product name	2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione
Catalogue number	ZX-036253
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
Molar mass	472.8 g/mol
Exact mass	472.0207
Grade	Reference Standard
Physical form	Solid
XLogP3	1.1
H-bond donors / acceptors	2 / 11
Topological polar surface area	143 Å²
HS 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
Synonyms	Tembotrione-4,6-dihydroxy

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

Safety and GHS hazards

Irritant or harmful

Hazardous to the environment

Signal word Warning

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

Which CAS number identifies 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 registered under CAS 912654-91-2. You may also see it listed as Tembotrione-4,6-dihydroxy. Our catalogue number for this item is ZX-036253.

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

For 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione, its formula is C17H16ClF3O8S and its molar mass is 472.8 g/mol. The systematic (IUPAC) name is 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione. InChIKey KGPIRVWYAUCFAI-UHFFFAOYSA-N lets you match it in any structure database.

How is 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione used in pharmaceutical QC?

2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione is a characterised reference material linked to Tembotrione. 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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-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 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione to my country?

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

More Tembotrione standards

More in Metabolites & Degradation Products

Tembotrione

CAS: 335104-84-2
Formula: C₁₇H₁₆ClF₃O₆S
MW: 440.8 g/mol

ZX-036252

Diethyl (Hydroxymethyl) Phosphonate

CAS: 3084-40-0
Formula: C₅H₁₃O₄P
MW: 168.13 g/mol

ZX-036261

Methyl 4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxide

CAS: 98827-44-2
Formula: C₈H₇NO₅S₂
MW: 261.3 g/mol

ZX-036262

(E/Z)-4-Hydroxy Tamoxifen

CAS: 68392-35-8
Formula: C₂₆H₂₉NO₂
MW: 387.5 g/mol

ZX-036240

(Z)-4-Hydroxy Tamoxifen

CAS: 68047-06-3
Formula: C₂₆H₂₉NO₂
MW: 387.5 g/mol

ZX-036239

Beta-Zearalanol

CAS: 42422-68-4
Formula: C₁₈H₂₆O₅
MW: 322.4 g/mol

ZX-036238

19-Hydroxytestosterone

CAS: 2126-37-6
Formula: C₁₉H₂₈O₃
MW: 304.4 g/mol

ZX-036274

11α-Hydroxy Testosterone

CAS: 3066-12-4
Formula: C₁₉H₂₈O₃
MW: 304.4 g/mol

ZX-036275

Have a list of compounds to price?

Paste up to 200 CAS numbers into Bulk CAS lookup, or send one enquiry for everything in your quote list. We reply with price, lead time and documents.

Bulk CAS lookup Open quote list