(5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone

Basic Information

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CAS Number

141112-29-0

Molecular Formula

C15H12F3NO4S

Molecular Weight

359.33 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

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

Melting Point

138-138.5° (Cain); mp 140°

Boiling Point

575.1°C at 760 mmHg

Density

1.4550

Solubility

Chloroform, DCM, Ethyl Acetate, Methanol

SMILES

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CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F

InChI

InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3

InChIKey

OYIKARCXOQLFHF-UHFFFAOYSA-N

LogP

3.205300000000002

Topological Polar Surface Area

77.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

597

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats, quails, mallard ducks (mg/kg): >5000, >2150, >2150 orally; in rabbits (mg/kg): >2000 dermally (Luscombe)

Synonyms & References

English

ISOXAFLUTOLE
MERLIN
BALANCE
5-cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole
isoxaflutole (bsi, pa iso)
isoxaflutole (ISO) 5-cyclopropyl-1,2-oxazol-4-yl α,α,α-trifluoro-2-mesyl-p-tolyl ketone
Isoxaflutole Solution
(5-cyclopropyl-1,2-oxazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone
(5-cyclopropyl-1,2-oxazol-4-yl)[2-(methanesulfonyl)-4-(trifluoromethyl)phenyl]methanone
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
(5-Cyclopropylisoxazol-4-yl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone
EXP 31130A
RPA 201772
0T9R0O0EYT
RP 201772
AK279545
IFT cpd
(5-Cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone
Isoxaflutole [ISO]
(5-cyclopropylisoxazol-4-
5-Cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole

MDL Number

MFCD03095707

FAQ

What regulatory guidelines apply to (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0)?

This compound (CAS: 141112-29-0) falls under the purview of several regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical safety and environmental impact. Compliance with these guidelines is essential for handling, storage, and disposal to ensure safety and regulatory adherence.

Are there alternatives to (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0) in synthesis?

In the synthesis of similar compounds, alternative reagents such as methylsulfinyl compounds or trifluoromethyl derivatives can be used. These analogs and isomers can offer variations in reactivity and properties, providing alternatives to (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0).

What is the market or research trend for (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0)?

The market and research trends indicate a growing interest in compounds with unique structural features like trifluoromethyl groups and oxazolone moieties. This compound (CAS: 141112-29-0) is being explored for its potential in pharmaceuticals and agrochemicals due to its distinctive chemical structure and properties.

How should waste containing (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0) be handled?

Waste containing (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone (CAS: 141112-29-0) should be collected in appropriate containers and disposed of through professional waste disposal services. Proper incineration or non-hazardous waste treatment methods should be employed, following local environmental protection regulations to ensure safe and environmentally friendly disposal.