2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione | CAS No. 99105-77-8

2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione

Basic Information

CAS Number

99105-77-8

Molecular Formula

C14H13ClO5S

Molecular Weight

328.77 g/mol

AD

Basic Physical Properties

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

InChI

InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3

InChIKey

PQTBTIFWAXVEPB-UHFFFAOYSA-N

LogP

1.8645000000000003

Topological Polar Surface Area

85.35 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

546

Safety Information

View Safety Information

GHS Hazard Pictograms

H317H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

  • 2-(2-CHLORO-4-METHYLSULFONYL-BENZOYL)CYCLOHEXANE-1,3-DIONE
  • Sulcotrione [ISO]
  • 1,3-Cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)benzoyl)-
  • 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane -1,3-dione
  • 2-(2-Chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione
  • Q22808904
  • 2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione
  • DTXSID9058230
  • CHEMBL2252422
  • 114680-61-4
  • 2-CYCLOHEXEN-1-ONE, 2-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-3-HYDROXY-
  • 5UEH9SXW7V
  • ICI-A-0051
  • 129233-47-2
  • 3-HYDROXY-2-(4-(METHYLSULFONYL)-2-CHLOROBENZOYL)-2-CYCLOHEXEN-1-ONE
  • 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione
  • FT-0642386
  • HMS3749K11
  • SULCOTRIONE [MI]
  • SCHEMBL55030
  • SC 0051
  • DS-6039
  • 2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-cyclohex-2-enone
  • UNII-5UEH9SXW7V
  • Sulcotrione, PESTANAL(R), analytical standard
  • 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione
  • 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-
  • 2-(2-chloro-4-methanesulfonylbenzoyl)cyclohexane-1,3-dione
  • 99105-77-8
  • AC-12558
  • CHEBI:83465

MDL Number

MFCD01632349

Customs Code

2930909056

FAQ

What regulatory guidelines apply to 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8)?

2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes health, environmental, and physical hazards. Additionally, European Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations must be adhered to, as well as FDA and EPA requirements for safety data sheets and reporting.

Are there alternatives to 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8) in synthesis?

Alternative reagents for synthesizing similar compounds include 2-chloro-4-(methylsulfonyl)benzoic acid and other benzoyl derivatives. These can be used as substitutes depending on the specific reaction conditions and desired end product.

What is the market or research trend for 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8)?

The market for 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8) is evolving with a focus on its potential applications in medicinal chemistry and pharmaceuticals. Research trends indicate increasing interest in its use as a precursor for drug development and as a scaffold for further chemical modifications.

How should waste containing 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8) be handled?

Waste containing 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione (CAS: 99105-77-8) should be collected in appropriate containers and disposed of according to local regulations. It is recommended to incinerate or use professional waste disposal services for safe disposal. Environmental protection measures should be taken to ensure no contaminants leach into the environment.

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