1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone

Basic Information

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CAS Number

1190865-44-1

Molecular Formula

C8H2Cl2F4O

Molecular Weight

261 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

282.5±40.0°C at 760 mmHg

SMILES

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c1c(cc(c(c1Cl)F)Cl)C(=O)C(F)(F)F

InChI

InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H

InChIKey

NSWPERXXSPCRCT-UHFFFAOYSA-N

LogP

3.8774999999999995

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

244

Safety Information

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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

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
1-(3,5-dichloro-4-fluoro-phenyl)-2,2,2-trifluoro-ethanone
1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
NSWPERXXSPCRCT-UHFFFAOYSA-N
1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one
AK189235
3',5'-Dichloro-2,2,2,4'-tetrafluoroacetophenone
Ethanone, 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoro-
1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoro

MDL Number

MFCD23382507

FAQ

What are the physical and chemical properties of 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone (CAS: 1190865-44-1)?

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone is a crystalline solid with a molecular weight of approximately 336.02 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetone. The compound exhibits good reactivity towards nucleophiles and electrophiles, making it suitable for various synthetic applications.

How is 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone (CAS: 1190865-44-1) typically synthesized?

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone is typically synthesized via a multistep process involving the protection of an alcohol functionality, followed by a fluorination reaction, and subsequent coupling reactions. The use of a palladium catalyst can enhance the selectivity and yield of the product.

What industries use 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone (CAS: 1190865-44-1)?

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone is used in the pharmaceutical industry for the synthesis of intermediates and active pharmaceutical ingredients. It is also employed in the sensor industry for the development of chemical sensors, and in the semiconductor industry as a precursor for electronic materials.

What precautions should be taken when handling 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone (CAS: 1190865-44-1)?

When handling 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate containment measures, and the material safety data sheet (MSDS) should be consulted for detailed safety information.