Physical properties:

Methyl-2-Bromobenzoate (CAS 610-94-6), Is a clear, light yellow liquid with a molecular weight of 215.04 g/mol. It has a density of 1.532 g/mL at 25°C, a boiling point of 252°C, and is used as an intermediate in organic synthesis, pharmaceuticals, and agrochemicals. Key hazards include skin/eye irritation, and it should be stored in a cool, dark place.

Physical and Chemical Properties

• Molecular Formula: 𝐶8𝐻7𝐵𝑟𝑂2
• Molecular Weight: 215.04 g/mol
• CAS Number: 610-94-6
• Appearance: Clear light yellow liquid
• Density: 1.532 g/mL at 25°C
• Boiling Point: 252°C (lit.)
• Refractive Index: 𝑛20/𝐷 1.559 (lit.)
• Solubility: Not specified, but likely organic-soluble as a halogenated ester.
• Flash Point: >110°C (approx.)

Chemical Structure and Identifiers

• SMILES: COC(=O)c1ccccc1Br
• InChI Key: SWGQITQOBPXVRC-UHFFFAOYSA-N
• Synonyms: 2-Bromobenzoic acid methyl ester, Methyl o-bromobenzoate

Safety and Handling

• Hazard Classifications: Methyl-2-Bromobenzoate (CAS 610-94-6),Causes skin irritation (H315), causes serious eye irritation (H319), and may cause respiratory irritation (H335).
• Storage: Keep in a cool, dark place, preferably <15°C.
• Stability: Stable under normal conditions. Avoid strong oxidizing agents.

Applications

• Organic Synthesis: Used as a raw material in chemical synthesis, particularly in reactions involving halogenated esters.
• Pharmaceuticals & Agrochemicals: Acts as an intermediate for these industries.
• Material Science: Used in research related to light-emitting materials and organic electrochemical cells.

Methyl 2-bromobenzoate (CAS 610-94-6) is a chemical compound primarily known by synonyms such as 2-bromobenzoic acid methyl ester, Methyl o-bromobenzoate, and Benzoic acid, 2-bromo-, methyl ester. It is commonly used as a chemical intermediate, appearing as a colorless to light yellow liquid with the formula 𝐶8𝐻7𝐵𝑟𝑂2.

Key Synonyms and Identifiers

• 2-Bromobenzoic acid methyl ester
• Methyl o-bromobenzoate
• Benzoic acid, 2-bromo-, methyl ester
• o-Bromobenzoic acid, methyl ester
• 2-(Methoxycarbonyl)bromobenzene
• Methyl 2-bromo-benzoate
• NSC 7318

Technical Information

• CAS Number: 610-94-6
• Molecular Formula: 𝐶8𝐻7𝐵𝑟𝑂2
• Molecular Weight: 215.04 g/mol
• MDL Number: MFCD00016328
• EINECS Number: 210-241-5

Methyl 2-bromobenzoate (CAS 610-94-6) is an organic building block used primarily as an intermediate in pharmaceutical synthesis, agrochemical development (herbicides/fungicides), and advanced materials research. It is a liquid aromatic ester utilized in organic synthesis for creating complex molecules, including liquid crystals and lactonization reactions.

Key Uses and Applications:

• Pharmaceutical Intermediates:Acts as a vital component in the synthesis of active pharmaceutical ingredients (APIs).
• Agrochemicals:Used in the development of new fungicides, pesticides, and herbicides.
• Chemical Synthesis:Serves as a versatile building block in organic chemistry.
• Material Science:Applied in the creation of specialized liquid crystal materials.
• Chemical Reactions:Involved in reactions like the Heck reaction to create benzofuran-2-one derivatives.

610-94-6= 510