2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione

Basic Information

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CAS Number

335104-84-2

Molecular Formula

C17H16ClF3O6S

Molecular Weight

440.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C1C(C(C2=CC=C(S(=O)(C)=O)C(COCC(F)(F)F)=C2Cl)=O)C(CCC1)=O

InChI

InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3

InChIKey

IUQAXCIUEPFPSF-UHFFFAOYSA-N

LogP

2.9434000000000013

Topological Polar Surface Area

94.57999999999998 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

2-{2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
2-{2-Chlo<wbr>
tembotrione
LogP
2-[2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione
BAY 747
2-{2-chloro-4-methanesulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione

MDL Number

MFCD11840613

FAQ

What is 2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione (CAS: 335104-84-2)?

This compound is a complex organic molecule used in pharmaceutical and research applications. It has a unique structure that includes a cyclohexane ring, chloro and trifluoroethoxy groups, and a benzoyl moiety. The compound is characterized by its high stability and specificity in chemical reactions.

What are the main uses of 2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione (CAS: 335104-84-2)?

This compound is primarily used in the synthesis of pharmaceuticals and as a research reagent. It can be utilized in developing new drugs and as a tool in chemical research due to its specific functional groups.

Is 2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione (CAS: 335104-84-2) safe?

This compound is considered safe under normal handling conditions when appropriate protective measures are taken. Users should wear gloves and goggles, and ensure good ventilation. Storage should be in a cool, dry place away from direct sunlight.

How should 2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione (CAS: 335104-84-2) be stored?

This compound should be stored in a cool, dry environment, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Ensure the storage area is well-ventilated to avoid inhalation risks.