Description

Methyl 4-fluorobenzoate (CAS No. 403-33-8) is a high-purity fluorinated aromatic ester with the molecular formula C₈H₇FO₂. This compound, also known as methyl p-fluorobenzoate, is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive ester and fluorine functionalities. Its clear to pale-yellow liquid form and characteristic aromatic odor make it easily identifiable in laboratory settings. With a purity of ≥98% (GC), it is suitable for use as a building block in the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and agrochemicals. Packaged under inert gas to ensure stability, this product is ideal for researchers requiring precise and reliable reagents.

Key Features:

• CAS: 403-33-8
• Molecular Weight: 154.14 g/mol
• Boiling Point: ~195-197°C
• Density: ~1.18 g/cm³ at 20°C
• Storage: Store in a cool, dry place under inert atmosphere

Properties

• CAS Number: 403-33-8
• Complexity: 139
• IUPAC Name: methyl 4-fluorobenzoate
• InChI: InChI=1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
• InChI Key: MSEBQGULDWDIRW-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: COC(=O)C1=CC=C(C=C1)F
• Topological: 26.3
• Monoisotopic Mass: 154.04300762
• Synonyms: Methyl 4-fluorobenzoate, 403-33-8, Methyl p-fluorobenzoate, Benzoic acid, 4-fluoro-, methyl ester, EINECS 206-956-7, 4-F-C6H4-COOCH3, DTXSID40193309, p-Fluorobenzoic acid, methyl ester, 4-Fluorobenzoic acid, methyl ester, NSC 102770, Benzoic acid, p-fluoro-, methyl ester, DTXCID00115800, 206-956-7, inchi=1/c8h7fo2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5h,1h, msebqguldwdirw-uhfffaoysa-n, 4-Fluorobenzoic Acid Methyl Ester, 4-fluoro-benzoic acid methyl ester, MFCD00017959, Methyl 4-Fluorobenzoic Acid, NSC-102770, METHYL4-FLUOROBENZOATE, p-Fluorobenzoic Acid Methyl Ester; 4-Methoxycarbonyl-1-fluorobenzene; Methyl 4-Fluorobenzoate; Methyl p-Fluorobenzoate; NSC 102770;, 4Fluoro Metyl Benzoate, methyl-4-fluorobenzoate, C86J6UCY6P, SCHEMBL63811, SCHEMBL556622, Methyl 4-fluorobenzoate, 98%, SCHEMBL1205805, SCHEMBL27995848, 4-fluoro benzoic acid methyl ester, AB9709, NSC102770, SBB053694, AKOS000295905, CS-W007781, FM37718, PS-8880, AC-15550, DB-013253, F0403, NS00030761, ST50824452, EN300-97866

Application

Methyl 4-fluorobenzoate is a versatile intermediate in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals and agrochemicals. Its ester group enables facile hydrolysis or transesterification, while the para-fluorine substituent enhances reactivity in nucleophilic aromatic substitution (S_NAr) reactions. Researchers also employ it in the development of liquid crystals and specialty polymers due to its aromatic and fluorinated properties. Additionally, it serves as a standard or reference compound in analytical chemistry, including GC-MS and NMR studies.

Safety and Hazards

GHS Hazard Statements

• H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (85.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.4%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (85.4%)
• Eye Irrit. 2 (14.6%)
• STOT SE 3 (97.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.