Chemical Products 1-Bromo-2,5-difluorobenzene Description

Chemical Products 1-Bromo-2,5-difluorobenzene Description

CLEAR COLOURLESS LIQUID

Chemical Products 1-Bromo-2,5-difluorobenzene Basic Attributes

CAS No：399-94-0

Molecular Formula ：C6H3BrF2

Molecular Mass ：192.99

Exact Mass ：191.938614

PSA ：0 A^2

LogP ：3

EINECS ：206-920-0

InChIKeys ：XCRCSPKQEDMVBO-UHFFFAOYSA-N

H-bond Acceptor ：2

H-bond Donor ：0

SP3 ：0.00

RBN ：0

Chemical Products 1-Bromo-2,5-difluorobenzene Characteristics

Density ：1.7±0.1 g/cm3

Melting Point ：−31 °C(lit.)

Bolling Point ：58-59 °C20 mm Hg(lit.)

Flash Point ：149 °F

Refractive Index ：1.507

Solubility ：H2O: Insoluble

BRN ：1680893

Chemical Products 1-Bromo-2,5-difluorobenzene Safety Information

Hazard Class ：IRRITANT, FLAMMABLE

HS Code ：29039990

UN No. ：UN2922

WGK_Germany ：3

Risk Code ：36/37/38

Safety Instructions ：26-36/37/39-2637/39-37/39

Dangerous Mark ：Xi,F,Xn

P Code ：P261-P305 + P351 + P338

Hazard Statements ：H315-H319-H335

Hazard Note ：Flammable

Chemical Products 1-Bromo-2,5-difluorobenzene Product Usage

Used as medicine, pesticide, liquid crystal material intermediate

Chemical Products 1-Bromo-2,5-difluorobenzene Production Methods

General procedure: A FEP or PFA reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with substituted benzene (0.95–1.10 mmol), 1, 1, 1, 3, 3-pentafluorobutane (1–2 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.5 mmol per mmol of C6H5R). The mixture was stirred for 10–15 min at 0–5°C (ice bath), and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. After addition of each portion, the mixture was stirred for 3–5 min at 22–25°C and cooled again. When the addition was complete the dark solution was stirred for 15–30 min at 22–25°C, 10percent aqueous KHCO3 was added, and the upper organic layer was separated, passed through a short column charged with silica gel (40–60 μm), and dried over MgSO4. The solution was analyzed by 19F NMR and GC/MS. The main products are given in table, and the others are listed below (GC/MS data).