247952

2-Bromo-1,4-difluorobenzene

98%

• Linear Formula: BrC₆H₃F₂
• CAS Number: 399-94-0
• Molecular Weight: 192.99
• EC Number: 206-920-0
• MDL number: MFCD00000345
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854903
• NACRES: NA.22

Properties

• assay: 98%
• form: liquid
• refractive index: n20/D 1.508 (lit.)
• bp: 58-59 °C/20 mmHg (lit.)
• mp: −31 °C (lit.)
• density: 1.708 g/mL at 25 °C (lit.)
• functional group: bromo; fluoro
• SMILES string: Fc1ccc(F)c(Br)c1
• InChI: 1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChI key: XCRCSPKQEDMVBO-UHFFFAOYSA-N

Description

General description

Lithiation of 2-bromo-1,4-difluorobenzene in the presence of lithium diisopropylamide (LDA) in THF-hexane, butyllithium in diethyl ether-hexane and butyllithium in THF-hexane has been reported.

Application

2-Bromo-1,4-difluorobenzene has been used in the preparation of 1,4-difluoroanthraquinone, a precursor to ametantrone.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 149.0 °F - closed cup
• flash_point_c: 65 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter