1-(4-Bromophenyl)-2,2,2-trifluoroethanone

Basic Information

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CAS Number

16184-89-7

Molecular Formula

C8H4BrF3O

Molecular Weight

253.02 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

Melting Point

26-30 °C

Boiling Point

95 °C/4 mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

1.4610 (estimate)

SMILES

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C1=CC(=CC=C1C(=O)C(F)(F)F)Br

InChI

InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

InChIKey

IHGSAQHSAGRWNI-UHFFFAOYSA-N

LogP

3.1941000000000006

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

194

Safety Information

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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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

BCP27420
1-(4-bromophenyl)-2,2,2-trifluoroethan-1-one
16184-89-7
AKOS005258375
SCHEMBL17216
4'-bromo-2,2,2-trifluoroaceto-phenone
Ethanone, 1-(4-bromophenyl)-2,2,2-trifluoro-
DTXSID00345342
AMY1230
4'-Bromo-2,2,2-trifluoracetophenone
2,2,2-TRIFLUORO-4'-BROMOACETOPHENONE
CL8645
1-(4-Bromophenyl)-2,2,2-trifluoroethanone
AS-18874
Aluminumphosphide
4'-Bromo-2,2,2-trifluoroacetophenone, purum, >=98.0% (GC)
4'-Bromo-2,2,2-trifluoroacetophenone, >=98%
A810299
W-205885
CS-M1418
SY023310
MFCD00191862
4 inverted exclamation mark -Bromo-2,2,2-trifluoroacetophenone
4-Trifluoroacetylbromobenzene
4'-Bromo-2,2,2-trifluoroacetophenone
FT-0602071
1-(4-Bromophenyl)-2,2,2-trifluoroethanone #
EN300-42858
1-(4-Bromo-phenyl)-2,2,2-trifluoro-ethanone
4’-Bromo-2,2,2-trifluoroacetophenone
Ethanone,1-(4-bromophenyl)-2,2,2-trifluoro-

MDL Number

MFCD00191862

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7)?

1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7) is a white or off-white crystalline solid. It has a molecular weight of approximately 319.01 g/mol. This compound is poorly soluble in water but miscible with organic solvents such as ethanol and acetone. It is highly reactive due to the presence of the bromine and trifluoromethyl groups, making it prone to nucleophilic substitution and electrophilic reactions.

How is 1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7) typically synthesized?

1-(4-Bromophenyl)-2,2,2-trifluoroethanone is typically synthesized by the condensation of 4-bromophenol with trifluoroacetic anhydride. This process is often catalyzed by a Lewis acid such as aluminum trichloride. The reaction proceeds via nucleophilic aromatic substitution and acyloin condensation, yielding high yields and good selectivity. Careful control of reaction conditions is essential to achieve the desired product.

What industries use 1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7)?

1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7) is used primarily in the pharmaceutical and fine chemical industries for the synthesis of complex organic molecules. It also has applications in the polymer and sensor industries where its unique chemical properties can be utilized.

What precautions should be taken when handling 1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7)?

When handling 1-(4-Bromophenyl)-2,2,2-trifluoroethanone (CAS: 16184-89-7), it is important to wear personal protective equipment (PPE) such as gloves, protective goggles, and lab coats. Work should be conducted in a well-ventilated fume hood. Spills should be carefully managed using absorbent materials and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage precautions.