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383-53-9

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383-53-9 Structure

383-53-9 Structure
IdentificationMore
[Name]

4-(Trifluoromethyl)phenacyl bromide
[CAS]

383-53-9
[Synonyms]

2-BROMO-1-[4-(TRIFLUOROMETHYL)PHENYL]-1-ETHANONE
2-BROMO-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE
2-BROMO-4'-(TRIFLUOROMETHYL)ACETOPHENONE
4'-(TRIFLUOROMETHYL)PHENACYL BROMIDE
4-TRIFLUOROMETHYLPHENACYL BROMIDE
BUTTPARK 35\01-55
2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one, tech
4-(Trifluoromethyl)phenacyl bromide 97%
4-(Trifluoromethyl)phenacylbromide97%
4-(TRIFLUOROMETHYL)PHENACYL BROMIDE: TECH.
2-Bromo-4'-(trifluoromethyl)acetophenon
[EINECS(EC#)]

609-544-9
[Molecular Formula]

C9H6BrF3O
[MDL Number]

MFCD00126489
[Molecular Weight]

267.04
[MOL File]

383-53-9.mol
Chemical PropertiesBack Directory
[Melting point ]

45 °C
[Boiling point ]

264.2±40.0 °C(Predicted)
[density ]

1.592±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Yellow to Orange
[InChI]

1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2
[InChIKey]

HEMROKPXTCOASZ-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1ccc(cc1)C(=O)CBr
[CAS DataBase Reference]

383-53-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

1759
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

CORROSIVE
[PackingGroup ]

III
[HS Code ]

29147000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Bromine-->1,4-Dioxane-->4'-(Trifluoromethyl)acetophenone-->1-(2-Bromoethynyl)-4-(trifluoromethyl)benzene-->4'-Trifluoromethylphenyl acetylene-->Ethylene glycol-->4-(Trifluoromethyl)styrene
[Preparation Products]

1,3-Dioxolane, 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]--->2-Oxazoleethanol, β,5-dibromo-4-[4-(trifluoromethyl)phenyl]-, 2-acetate-->1H-Isoindole-1,3(2H)-dione, 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]--->2-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidine-->2-(Methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one
Hazard InformationBack Directory
[Chemical Properties]

White powder or crystal
[Synthesis]

1-(2-Bromoethynyl)-4-(trifluoromethyl)benzene

313343-88-3

4-(Trifluoromethyl)phenacyl bromide

383-53-9

General procedure for the synthesis of 2-bromo-4'-(trifluoromethyl)acetophenone using 1-(bromoethynyl)-4-(trifluoromethyl)benzene as starting material: a mixed solution of haloalkynes (0.5 mmol), silver fluoride (5 mol%), and water (1 eq.) in trifluoroacetic acid (1 mL) was stirred for 6 hours at 40 °C. Upon completion of the reaction, the trifluoroacetic acid was recovered by distillation for reuse. The residue was purified by column chromatographic separation to afford the target product 2-bromo-4'-(trifluoromethyl)acetophenone.

[References]

[1] Tetrahedron Letters, 2014, vol. 55, # 7, p. 1373 - 1375
[2] European Journal of Organic Chemistry, 2016, vol. 2016, # 1, p. 116 - 121
[3] Tetrahedron, 2016, vol. 72, # 27-28, p. 3818 - 3822
[4] Tetrahedron Letters, 2016, vol. 57, # 45, p. 4983 - 4986
[5] Chinese Journal of Chemistry, 2016, vol. 34, # 12, p. 1251 - 1254
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Trifluoromethyl)phenacyl bromide(383-53-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one(383-53-9)
[Sigma Aldrich]

383-53-9(sigmaaldrich)
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