Description

2-Fluorotoluene (CAS No. 95-52-3) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₇F and IUPAC name 1-fluoro-2-methylbenzene. This colorless to pale-yellow liquid is a valuable building block in organic synthesis, offering exceptional reactivity for electrophilic aromatic substitution and nucleophilic fluorination reactions. With a boiling point of 113-114°C and density of 1.002 g/mL at 25°C, it is ideally suited for precision applications in pharmaceutical intermediates, agrochemicals, and advanced material science. Our product is rigorously tested to meet >98% purity standards (GC) with controlled moisture content (<0.1% water) for optimal performance in sensitive reactions. Available in sealed glass ampoules (1g-5g), reagent bottles (100mL-1L), and bulk drums (20L-200L) under nitrogen blanket to ensure stability.

Key Features:
– Ortho-substituted fluorobenzene derivative with enhanced steric effects
– Low peroxide formation potential compared to alkyl fluorides
– Compatible with Grignard reactions and lithiation processes
– Shelf-stable when stored at 2-8°C in amber containers

Properties

• CAS Number: 95-52-3
• Complexity: 70.8
• IUPAC Name: 1-fluoro-2-methyl-benzene
• InChI: InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N
• Exact Mass: 110.053178385
• Molecular Formula: C7H7F
• Molecular Weight: 110.13
• SMILES: CC1=CC=CC=C1F
• Monoisotopic Mass: 110.053178385
• Physical Description: 2-fluorotoluene appears as a colorless liquid with an aromatic odor. May sink or float on water.
• Boiling Point: 237.2 °F at 760 mmHg
• Melting Point: -79.6 °F
• Flash Point: 55 °F
• Density: 1.0041 at 55.4 °F – Denser than water; will sink
• Vapor Pressure: 47.05 mmHg
• Synonyms: 2-Fluorotoluene, O-FLUOROTOLUENE, 1-Fluoro-2-methylbenzene, Benzene, 1-fluoro-2-methyl-, ortho-Fluorotoluene, UNII-L55XKB3K7H, NSC 8859, EINECS 202-428-5, BRN 1853362, NSC-8859, O-FLUOROTOLUENE [MI], DTXSID7021811, EC 202-428-5, 4-05-00-00799 (Beilstein Handbook Reference), UN 2388, O-TOLYL FLUORIDE, DTXCID401811, 2-FLUORO-1-METHYLBENZENE, inchi=1/c7h7f/c1-6-4-2-3-5-7(6)8/h2-5h,1h, mmzycbhlnzvrom-uhfffaoysa-n, 95-52-3, Toluene, o-fluoro-, 1-Methyl-2-fluorobenzene, FLUOROTOLUENE, L55XKB3K7H, CHEMBL352215, 2-FLUOROTOLUENE-ALPHA-D1, 2-FLUOROTOLUENE-ALPHA,ALPHA,ALPHA-D3, 1-Fluoro-2-methyl-benzene, 2 -fluorotoluene, 2-fluoro-toluene, 2-Fluorotoluene, >=99%, SCHEMBL11837, SCHEMBL26664, SCHEMBL97270, SCHEMBL158449, SCHEMBL161520, SCHEMBL161731, SCHEMBL162082, SCHEMBL9956471, SCHEMBL11503634, NSC8859, 1-methylbutyl 2-methylprop-2-enoate, BDBM50008541, STL356491, AKOS000119932, PS-11960, DB-024291, F0039, NS00002197, EN300-19497, o-Fluorotoluene [UN2388] [Flammable liquid], Q27282724, F0001-2273, Z104474026

Application

2-Fluorotoluene serves as a versatile precursor in pharmaceutical research for constructing fluorinated drug scaffolds, particularly in CNS-active compounds where the fluorine atom modulates bioavailability. In materials science, it’s employed as a monomer for specialty polymers with enhanced thermal stability. The compound also finds use as a solvent for NMR spectroscopy and as a starting material for synthesizing liquid crystals and OLED materials.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H301 (28.2%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (49%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (22.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (94%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Acute Tox. 3 (28.2%)
• Skin Irrit. 2 (49%)
• Eye Irrit. 2 (49%)
• Acute Tox. 4 (22.1%)
• STOT SE 3 (94%)

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