CAS Number: 461432-22-4
Chemical Name: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
IUPAC Name: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
Synonyms:
5-Bromo-2-chloro-(4-ethoxybenzoyl)benzene; 4-Ethoxyphenyl (5-bromo-2-chlorophenyl) ketone
Molecular Formula: C₁₅H₁₂BrClO₂
Molecular Weight: ~355.61 g/mol
Appearance: White to off-white crystalline solid
Physical State: Solid
Melting Point: Typically reported in the range of 90–95 °C (may vary by supplier)
Boiling Point: Not commonly reported; decomposes at elevated temperatures
Solubility: Soluble in organic solvents such as chloroform, dichloromethane, acetone, and ethyl acetate
Stability: Stable under standard laboratory conditions; sensitive to strong oxidizing agents
Functional Groups:
Aryl ketone (benzophenone-type carbonyl)
Bromo-substituted aromatic ring
Chloro-substituted aromatic ring
Ethoxy group (–OCH₂CH₃)
Chemical Class:
Halogenated aromatic ketone / benzophenone derivative
SMILES:
CCOC1=CC=C(C=C1)C(=O)C2=CC(Br)=CC(Cl)=C2
InChI Key:
YNXOCWJZKULZAB-UHFFFAOYSA-N
Pharmaceutical Intermediate:
Used as an intermediate in the synthesis of complex organic molecules and drug candidates, particularly those requiring halogenated aromatic ketone frameworks.
Fine & Specialty Chemical Synthesis:
Serves as a key building block in multi-step organic reactions, including coupling and substitution processes.
Material & Chemical Research:
Employed in research applications involving structure–activity relationship (SAR) studies and aromatic ketone modifications.
The combination of bromo, chloro, and ethoxy substituents enhances both reactivity and structural diversity.
GHS Classification (typical):
Harmful if swallowed
Causes skin and eye irritation
May cause respiratory irritation
Common Hazard Statements:
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements:
P261: Avoid breathing dust or vapors
P280: Wear protective gloves and eye protection
P305 + P351 + P338: IF IN EYES, rinse cautiously with water and remove contact lenses
Typical Purity: 95–98% (research and industrial grade)
Storage Conditions:
Store in a tightly sealed container
Keep in a cool, dry, and well-ventilated area
Protect from direct sunlight and moisture
Commercial Use:
Available from specialty chemical suppliers for research and industrial synthesis only
Not intended for pharmaceutical, diagnostic, or food use
461432-22-4 ((5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone) is a halogenated aromatic ketone widely used as an intermediate in pharmaceutical and fine chemical synthesis. Its benzophenone-like structure, combined with multiple functional substituents, makes it valuable for advanced organic synthesis and research applications. Proper safety precautions and controlled storage are recommended due to its irritant properties.
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