CAS Number: 21739-92-4
Chemical Name: 5-Bromo-2-chlorobenzoic Acid
IUPAC Name: 5-Bromo-2-chlorobenzoic acid
Synonyms:
2-Chloro-5-bromobenzoic acid; 5-Bromo-2-chlorobenzoate (acid form)
Molecular Formula: C₇H₄BrClO₂
Molecular Weight: ~235.45 g/mol
Appearance: White to off-white crystalline powder
Physical State: Solid
Melting Point: Typically reported in the range of 190–195 °C (may vary slightly by supplier)
Boiling Point: Not commonly reported; decomposes at elevated temperatures
Solubility:
Slightly soluble in water; soluble in organic solvents such as methanol, ethanol, acetone, and ethyl acetate
Stability:
Stable under normal laboratory conditions; incompatible with strong oxidizing agents
Functional Groups:
Carboxylic acid group (–COOH)
Bromo-substituted aromatic ring
Chloro-substituted aromatic ring
Chemical Class:
Halogenated aromatic carboxylic acid
SMILES:
O=C(O)C1=CC(Br)=CC(Cl)=C1
InChI Key:
IXZVQYRGKCMYJE-UHFFFAOYSA-N
Pharmaceutical Intermediate:
Widely used as an intermediate in the synthesis of active pharmaceutical ingredients (APIs), especially for compounds requiring halogenated benzoic acid frameworks.
Agrochemical & Fine Chemical Synthesis:
Plays an important role in the manufacture of herbicides, pesticides, and specialty chemicals through coupling and substitution reactions.
Research & Development:
Used in medicinal chemistry and structure–activity relationship (SAR) studies due to its reactive carboxylic acid group and halogen substituents.
The presence of both bromine and chlorine enhances reactivity and makes this compound valuable for diverse organic transformations.
GHS Classification (typical):
Causes skin and eye irritation
Harmful if swallowed
Common Hazard Statements:
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
Precautionary Statements:
P261: Avoid breathing dust
P280: Wear protective gloves and eye/face protection
P305 + P351 + P338: IF IN EYES, rinse cautiously with water and remove contact lenses if present
Typical Purity: 97–99% (research and industrial grade)
Storage Conditions:
Store in a tightly sealed container
Keep in a cool, dry, and well-ventilated place
Protect from moisture and direct sunlight
Commercial Use:
Available from specialty chemical manufacturers and suppliers for research and industrial synthesis only
Not intended for pharmaceutical, diagnostic, or food use
21739-92-4 (5-Bromo-2-chlorobenzoic Acid) is a halogenated aromatic carboxylic acid extensively used as an intermediate in pharmaceutical, agrochemical, and fine chemical synthesis. Its dual halogen substitution and reactive carboxyl group make it an essential building block for advanced organic and medicinal chemistry applications. Proper handling and storage are recommended due to its irritant nature.
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