4-Bromo-4'-fluorobiphenyl
- CAS NO.：398-21-0
- Empirical Formula: C12H8BrF
- Molecular Weight: 251.09
- MDL number: MFCD00017954
- EINECS: 206-909-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-25 17:15:13
What is 4-Bromo-4'-fluorobiphenyl?
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.
The Uses of 4-Bromo-4'-fluorobiphenyl
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.
Properties of 4-Bromo-4'-fluorobiphenyl
| Melting point: | 92.5-97.5 °C(lit.) |
| storage temp. | Sealed in dry,Room Temperature |
| 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 |
| CAS DataBase Reference | 398-21-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Bromo-4'-fluorobiphenyl(398-21-0) |
Safety information for 4-Bromo-4'-fluorobiphenyl
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H318:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Bromo-4'-fluorobiphenyl
| InChIKey | XFGPSHWWPIFPNL-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(F)C=C2)=CC=C(Br)C=C1 |
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