1-(4-Bromophenyl)ethanone

Basic Information

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CAS Number

99-90-1

Molecular Formula

C8H7BrO

Molecular Weight

199.05 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

50.0 to 54.0 deg-C

Boiling Point

255 °C

Density

1.64

Water Solubility

Soluble in Chloroform. Insoluble in water.

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.5540 (estimate)

SMILES

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

InChI

InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey

WYECURVXVYPVAT-UHFFFAOYSA-N

LogP

2.651700000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

125

Safety Information

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GHS Hazard Pictograms

H315

H319

H334

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

Synonyms & References

English

1-(P-BROMOPHENYL)ETHANONE
Methyl p-bromophenyl ketone
4'-Bromoacetophenone, 98%
1-bromo-4-acetylbenzene
1-(4-bromo-phenyl)ethan-1-one
4-ACETYLPHENYL BROMIDE
4'-Bromoacetophenone
Z57127459
PB47185
ACETOPHENONE,4-BROMO
F3096-1713
BIDD:ER0705
FT-0617848
4 inverted exclamation mark -Bromoacetophenone
SY001458
1-(4-bromophenyl)-ethanone
UNII-7NB3XRY0C6
DTXSID4059203
W-100010
METHYL 4-BROMOPHENYL KETONE
Q27268608
PS-3069
4-BROMOBENZENE METHYL KETONE
FT-0663620
4-BROMOACETOPHENONE
STR00836
AC7918
EINECS 202-799-3
1219805-88-5
AC-3632
J-501375

MDL Number

MFCD00000105

Customs Code

29147090

FAQ

What are the physical and chemical properties of 1-(4-Bromophenyl)ethanone (CAS: 99-90-1)?

1-(4-Bromophenyl)ethanone (CAS: 99-90-1) is a white crystalline solid with a molecular weight of approximately 211.02 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo bromine displacement reactions under basic conditions. It has a melting point of 78-79°C and a boiling point of 224°C. It is also reactive towards nucleophiles and can participate in electrophilic aromatic substitution reactions.

How is 1-(4-Bromophenyl)ethanone (CAS: 99-90-1) typically synthesized?

1-(4-Bromophenyl)ethanone (CAS: 99-90-1) is commonly synthesized via bromination of benzyl alcohol with bromine in the presence of a Lewis acid catalyst like aluminum triflate. The reaction proceeds with high selectivity to the ortho position, yielding a high yield of the desired product. The process requires careful control of reaction conditions to achieve optimal results.

What industries use 1-(4-Bromophenyl)ethanone (CAS: 99-90-1)?

1-(4-Bromophenyl)ethanone (CAS: 99-90-1) is used in the pharmaceutical industry for the synthesis of various organic compounds. It also finds application in the polymer industry as a monomer, in the sensor industry for gas detection, and in the semiconductor industry for chemical vapor deposition (CVD) processes. Its use in these industries highlights its importance in chemical synthesis and material science.

What precautions should be taken when handling 1-(4-Bromophenyl)ethanone (CAS: 99-90-1)?

When handling 1-(4-Bromophenyl)ethanone (CAS: 99-90-1), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of fume hoods to minimize exposure to the vapors. Store in a cool, dry place away from heat and sources of ignition. In the event of a spill, use appropriate containment and disposal methods as outlined in the safety data sheet (SDS). Always follow proper laboratory safety protocols and consult the SDS for specific handling instructions.