4-Bromo-4'-fluorobiphenyl Chemical Properties

Melting point:

92.5-97.5 °C(lit.)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

color 

White to off-white

InChI

InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

InChIKey

XFGPSHWWPIFPNL-UHFFFAOYSA-N

SMILES

C1(C2=CC=C(F)C=C2)=CC=C(Br)C=C1

CAS DataBase Reference

398-21-0(CAS DataBase Reference)

NIST Chemistry Reference

4-Bromo-4'-fluorobiphenyl(398-21-0)

Safety Information

Hazard Codes 

Xi,N

Risk Statements 

20/21/22-50/53-41

Safety Statements 

22-36/37/39-61-60-39-26

RIDADR 

UN 3152 9/PG 2

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

9

PackingGroup 

Ⅱ

HS Code 

2903998090

MSDS

• Language:English Provider:SigmaAldrich

4-Bromo-4'-fluorobiphenyl Usage And Synthesis

Chemical Properties

White powder, monoclinic, P21/c, a = 9.78(2), b = 13.33(2), c = 17.69(3) A, fl = 116.3(5) °, U = 2068.13(15) A3, Z = 8, Dx = 1.60 Mg m-3, Mo Kct radiation, 2 = 0-71069 A, /~ = 38-42 mm-1, F(000) = 992, T = 293K. Intensity data were only observable to a resolution of 1-1 A. 392 reflections were measured from a single crystal. 4,4'-disubstituted biphenyls crystallize in spacegroup No. 14 with either Z = 8 or Z = 2 [Brock, Kuo & Levy (1978). Acta Cryst. B34, 981-985]. The 4F,4'F compound is of the latter type, the 4Br,4'Br is of the former. This study was undertaken to find out to which group (if either) the mixed 4Br,4'F compound belonged. It is in fact isostructural with 4,4'-dibromobiphenyl.

Uses

4-Bromo-4'-fluorobiphenyl is a reagent used in the preparation of 5-hydroxypyrimidine-4-carboxamide compounds for promoting erythropoietin (EPO) production.

Safety

4-Bromo-4'-fluorobiphenyl is flammable and its containers may explode when heated. Vapors may form explosive mixtures with air and travel to the source of ignition and flash back.

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