Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Basic Information

View in Editor

CAS Number

769195-26-8

Molecular Formula

C11H9F3O3

Molecular Weight

246.18 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 Esters

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

Boiling Point

273.3°C at 760 mmHg

SMILES

View in Editor

COC(=O)CC(=O)CC1=CC(=C(C=C1F)F)F

InChI

InChI=1S/C11H9F3O3/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3,5H,2,4H2,1H3

InChIKey

XDQLWVSUKUDAEO-UHFFFAOYSA-N

LogP

1.7786

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

296

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BCP13457
Methyl 4-(2,4,5-trifluorophenyl)acetoacetate
769195-26-8
MFCD09833197
XDQLWVSUKUDAEO-UHFFFAOYSA-N
CS-0101388
Methyl3-oxo-4-(2,4,5-trifluorophenyl)butanoate
Sitagliptin Impurity 12
AKOS015855345
3-oxo-4-(2,4,5-trifluorophenyl)butanoic acid methyl ester
FT-0651720
SCHEMBL725284
I10027
A838895
Methyl 3-oxo-4-(245-trifluorophenyl)butanoate
DS-15574
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
AMY8922
DTXSID20652348
3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER
EBD38700
BC250879
AX8212489
Z1749
ST24047852
Methyl 4-(2,4,5-trifluorophenyl)acetoac

MDL Number

MFCD09833197

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8)?

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8) falls under the scope of the REACH regulation in the European Union, which requires manufacturers and importers to register substances with the European Chemicals Agency. Additionally, it is classified under the GHS system as a hazardous chemical, with specific handling and storage instructions. FDA and EPA regulations may also apply depending on its intended use in the United States.

Are there alternatives to Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate in synthesis (CAS: 769195-26-8)?

Several alternatives can be used in the synthesis of Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8), such as methyl 3-oxo-4-(2,4,5-trichlorophenyl)butanoate or methyl 3-oxo-4-(2,4-difluorophenyl)butanoate. These alternatives may offer similar functionalities but with different substituents, and their choice depends on the specific application and desired properties.

What is the market or research trend for Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8)?

The market for Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8) is driven by its use in pharmaceuticals and agrochemicals due to its unique chemical structure. Research trends focus on its potential as a precursor in drug synthesis and its role in developing new pesticides. Price trends indicate a steady demand with minor fluctuations based on supply chain dynamics and application needs.

How should waste containing Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8) be handled?

Waste containing Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS: 769195-26-8) should be collected and stored in a sealed, leak-proof container to prevent leakage and contamination. Incineration is a common method for disposal, but professional waste disposal services should be utilized to ensure compliance with regulatory standards. Environmental protection measures include proper labeling, segregation, and documentation of the waste management process to avoid environmental hazards.