1-(3-Chloro-5-fluorophenyl)ethanone

Basic Information

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CAS Number

842140-52-7

Molecular Formula

C8H6ClFO

Molecular Weight

172.59 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

51-54°C

Boiling Point

94°C/1.7mm

Solubility

Soluble in diethyl ether

SMILES

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CC(=O)c1cc(cc(c1)Cl)F

InChI

InChI=1S/C8H6ClFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

InChIKey

BVKHCVHYQNGCSC-UHFFFAOYSA-N

LogP

2.681700000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

Safety Information

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Hazard Statement

Synonyms & References

English

1-(3-Chloro-5-fluorophenyl)ethanone
3'-Chloro-5'-fluoroacetophenone
3-Chloro-5-fluoroacetophenone

MDL Number

MFCD04115834

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7)?

1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7) is a crystalline solid with a molecular weight of approximately 212.04 g/mol. The compound has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. It is mildly reactive and can undergo nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7) typically synthesized?

1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7) is commonly synthesized via the reaction of 3-chloro-5-fluorophenylacetic acid with acetone in the presence of a suitable base like sodium hydride. The process involves a Claisen rearrangement followed by a dehydration step. The yield is typically around 70-80%, and the reaction is conducted under anhydrous conditions to avoid side reactions.

What industries use 1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7)?

1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7) finds applications in the pharmaceutical industry, where it serves as an intermediate in the synthesis of various drugs. It is also used in the polymer industry for the modification of polymer properties and in the sensor industry for the development of gas-sensing materials.

What precautions should be taken when handling 1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7)?

When handling 1-(3-Chloro-5-fluorophenyl)ethanone (CAS: 842140-52-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.