1-[4-(Trifluoromethyl)phenyl]ethanone

Basic Information

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CAS Number

709-63-7

Molecular Formula

C9H7F3O

Molecular Weight

188.15 g/mol

Basic Physical Properties

Melting Point

30-33 °C

Boiling Point

79-80 °C/8 mmHg

Density

0.92

Refractive Index

1.4604

SMILES

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CC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3

InChIKey

HHAISVSEJFEWBZ-UHFFFAOYSA-N

LogP

2.9080000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

190

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC88346
MFCD00000401
709-63-7
1(4-trifluoromethyl-phenyl)-ethanone
EINECS 211-913-0
4-(trifluoromethyl) acetophenone
Ethanone, 1-[4-(trifluoromethyl)phenyl]-
4-Trifluoromethylacetophenone
NSC-88346
A9325
1-[4-(Trifluoromethyl)phenyl]ethan-1-one
FS-1031
4-trifluoromethyl acetophenone
Q-101442
4`-(Trifluoromethyl)acetophenone
4-(Trifluoromethyl)acetophenone
p-(Trifluoromethyl)acetophenone
1-(4-(trifluoromethyl)phenyl)ethanone
1-{4-(trifluoromethyl)phenyl}ethanone
4'-(Trifluoromethyl)acetophenone
AAHLVJULVKHCLR-UHFFFAOYSA-N
AKOS004909042
HHAISVSEJFEWBZ-UHFFFAOYSA-
FT-0616906
4'-(Trifluoromethyl)acetophenone, 98%
4-CF3-C6H4-COCH3
1-(4-trifluoromethyl-phenyl)ethanone
methyl-(4-trifluoromethylphenyl) ketone
NSC 88346
DTXSID80221130
BP-10796

MDL Number

MFCD00000401

Customs Code

29147090

FAQ

What regulatory guidelines apply to 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7)?

1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a flammable liquid under GHS and must comply with safety data sheet (SDS) and label requirements. REACH regulations require manufacturers to register the compound with the European Chemicals Agency (ECHA), providing detailed information on its properties, uses, and potential risks. FDA and EPA may have specific regulations regarding its use in products and environmental releases.

Are there alternatives to 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) in synthesis?

While 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) is a key intermediate in synthesis, there are alternative reagents and compounds that can serve similar roles. For instance, trifluoromethylbenzaldehyde can be used as an equivalent in certain reactions. Other alternatives include trifluoromethylbenzylamine, which can be converted to the desired ketone through oxidation. These alternatives are often chosen based on availability, cost, and the specific requirements of the synthetic pathway.

What is the market or research trend for 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7)?

The market for 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) is driven by its use in pharmaceuticals, agrochemicals, and polymer synthesis. Research trends indicate a growing interest in its applications in drug discovery and development, particularly for medicinal chemistry projects. Price trends suggest a stable market with minor fluctuations. Emerging research focuses on optimizing synthetic methods and exploring new uses, such as in the preparation of fluorinated materials and functional polymers.

How should waste containing 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) be handled?

Waste containing 1-[4-(Trifluoromethyl)phenyl]ethanone (CAS: 709-63-7) should be handled in accordance with local regulations and safety guidelines. Waste liquid should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. Incineration or professional waste disposal services can be utilized for safe disposal. For environmental protection, ensure that waste is neutralized and treated to meet the standards set by environmental protection agencies before disposal. Always follow safety protocols to protect personnel and the environment.