120847

2-Fluorobenzoyl chloride

99%

• Linear Formula: FC₆H₄COCl
• CAS Number: 393-52-2
• Molecular Weight: 158.56
• Beilstein/REAXYS Number: 636864
• EC Number: 206-887-2
• MDL number: MFCD00000656
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847433
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 99%
• refractive index: n20/D 1.536 (lit.)
• bp: 90-92 °C/15 mmHg (lit.)
• mp: 4 °C (lit.)
• density: 1.328 g/mL at 25 °C (lit.)
• functional group: acyl chloride; fluoro
• SMILES string: Fc1ccccc1C(Cl)=O
• InChI: 1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
• InChI key: RAAGZOYMEQDCTD-UHFFFAOYSA-N

Description

General description

2-Fluorobenzoyl chloride reacts with ethyl 5-amino-1-methylpyrazole-4-carboxylate to give N-mono-N,N-di-substituted intermediate which on ring closure yields heteroannulated oxazinone.

Application

2-Fluorobenzoyl chloride has been used in the preparation of 3-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester. It has been used to develop an hollow-fiber liquid phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 251.6 °F - closed cup
• flash_point_c: 122 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter