4-(Pentafluorosulfur)benzyl bromide Property

Melting point:

42-44℃

form 

crystalline solid

color 

White

Sensitive 

Moisture Sensitive

InChI

InChI=1S/C7H6BrF5S/c8-5-6-1-3-7(4-2-6)14(9,10,11,12)13/h1-4H,5H2

InChIKey

BFHGXKUYFXAMOZ-UHFFFAOYSA-N

SMILES

C1=C(S(F)(F)(F)(F)F)C=CC(CBr)=C1

Safety

HazardClass 

8

HS Code 

2930909899

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H318Causes serious eye damage

Precautionary statements

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

4-(Pentafluorosulfur)benzyl bromide Chemical Properties,Usage,Production

Synthesis

4-SF5-toluene (975uL, 1.37 mmol), AIBN (18mg, 0.110 mmol), and NBS (245mg, 1.37 mmol) were charged to a Schlenk flask with 10mL of C2H4Cl2. The resulting mixture was degassed and backfilled twice with N2 and subsequently placed in an oil bath heated to 80C. The mixture was allowed to stir for 24 hours, after which the resulting solution was allowed to cool, and the solvent was removed in vacuo. The resulting residue was charged with diethyl ether, and the solid was filtered away through Celite. The filtrate was dried in vacuo and subjected to silica gel chromatography with a hexane eluent. Fractions containing the desired product, as judged by NMR spectroscopy, were combined, and the solvent was removed to give the desired white solid 4-(Pentafluorosulfur)benzyl bromide (327 mg, 80%).