1-(5-Bromo-2-fluorophenyl)ethanone

Basic Information

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CAS Number

198477-89-3

Molecular Formula

C8H6BrFO

Molecular Weight

217.04 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

Physical State

White to Yellow Solid

Melting Point

40.0 to 44.0 deg-C

Boiling Point

251 ºC

Water Solubility

Slightly soluble in water.

Flash Point

106 ºC

SMILES

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

InChI

InChI=1S/C8H6BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey

XNRQIHIOKXQSPG-UHFFFAOYSA-N

LogP

2.790800000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD11226880
FT-0646987
Z1269120232
EN300-109838
A855252
SCHEMBL10082
A814001
5'-Bromo-2'-fluoroacetophenone
XNRQIHIOKXQSPG-UHFFFAOYSA-N
Ethanone, 1-(5-bromo-2-fluorophenyl)-
1-(5-bromo-2-fluorophenyl)ethan-1-one
AM20030286
AB64047
1-(5-bromo-2-fluoro-phenyl)-ethanone
W-206466
1-(5-Bromo-2-fluorophenyl)-1-ethanone
DTXSID30626858
B5237
CS-D0882
1-(5-bromo-2-fluorophenyl)ethanone
AC-28518
AKOS005073820
SS-3120
5 inverted exclamation mark -Bromo-2 inverted exclamation mark -fluoroacetophenone
AS-813/43501833
198477-89-3
1-(5-bromanyl-2-fluoranyl-phenyl)ethanone
SY022874
HY-69249
5ˊ-Bromo-2ˊ-fluoroacetophenone
1-(5-BROMO-2-FLUORO-PHENYL)-ETHANON

MDL Number

MFCD11226880

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3)?

1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3) is a white crystalline solid with a molecular weight of 266.04 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and dimethylformamide. This compound is known for its moderate reactivity, especially in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and heat.

How is 1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3) typically synthesized?

1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3) can be synthesized by reacting 2-fluoro-5-bromophenol with ethyl chloroformate in the presence of an organic base like triethylamine. The reaction is typically carried out in a solvent such as dichloromethane. The yield is moderate, around 70-80%, with good regioselectivity towards the ethanone product.

What industries use 1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3)?

1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3) is primarily used in the pharmaceutical and chemical industries due to its reactivity and structural complexity. It serves as a valuable intermediate in the synthesis of various organic compounds, particularly those requiring brominated and fluorinated functionalities. In the polymer industry, it can also be used in the development of special functional polymers.

What precautions should be taken when handling 1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3)?

When handling 1-(5-Bromo-2-fluorophenyl)ethanone (CAS: 198477-89-3), safety goggles and gloves should be worn. It should be stored in a well-ventilated area and away from direct sunlight. Fume hoods should be used during operations to minimize exposure. Spills should be cleaned up using absorbent materials, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.