2-Bromo-1-(3-fluorophenyl)ethan-1-one Chemical Properties

Melting point:

34-35

Boiling point:

76°C 0,09mm

Density 

1.568±0.06 g/cm3(Predicted)

Flash point:

110 °C

storage temp. 

2-8°C

form 

solid

color 

Faint to light yellow

Sensitive 

Lachrymatory

InChI

InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

ITAQNNGDCNFGID-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

53631-18-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

36/37/38-34

Safety Statements 

26-36/37/39-45-27

RIDADR 

UN 3335

WGK Germany 

3

Hazard Note 

Corrosive/Lachrymatory/Keep Cold

HazardClass 

LACHRYMATOR, CORROSIVE

HS Code 

29147000

2-Bromo-1-(3-fluorophenyl)ethan-1-one Usage And Synthesis

Chemical Properties

White solid

Synthesis

GENERAL METHODS: Oxone (1.352 g, 2.2 mmol) was added to a well-stirred methanol (10 mL) solution of m-fluoroacetophenone (2 mmol) and NH4Br (0.215 g, 2.2 mmol) and the reaction mixture was stirred at room temperature (or reflux temperature). The progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was quenched with aqueous sodium thiosulfate and extracted with ethyl acetate (3 × 25 mL). The organic layers were combined, washed with water, dried over anhydrous sodium sulfate, filtered, and concentrated in vacuum to remove the solvent to give the crude product. The crude product was further purified by silica gel column chromatography (200-300 mesh) to give pure 2-bromo-3'-fluoroacetophenone. All products were structurally confirmed by 1H NMR and mass spectrometry data.

References

[1] Tetrahedron Letters, 2012, vol. 53, # 2, p. 191 - 195
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 15, p. 6572 - 6582
[3] Patent: WO2008/46598, 2008, A1. Location in patent: Page/Page column 92
[4] RSC Advances, 2014, vol. 4, # 107, p. 62308 - 62320
[5] Journal of Organic Chemistry, 2013, vol. 78, # 14, p. 7312 - 7317

2-Bromo-1-(3-fluorophenyl)ethan-1-one(53631-18-8)Related Product Information

• 4'-Bromoacetophenone
• 3'-Fluoroacetophenone
• 3'-Chloroacetophenone
• 2-Bromoacetophenone
• 2',4'-Dichloroacetophenone
• PIPERACETAZINE (250 MG)
• Trifluoroacetophenone
• 3-Nitroacetophenone
• Allyl bromide
• Rocuronium bromide
• 4'-Hydroxyacetophenone
• 4-Fluoroacetophenone
• Acetophenone
• Sodium bromate
• Ethidium bromide
• 4'-(Trifluoromethyl)acetophenone
• 3-Aminoacetophenone
• 4-Nitroacetophenone