ChemicalBook--->CAS DataBase List--->64115-88-4

64115-88-4

64115-88-4 Structure

64115-88-4 Structure
IdentificationMore
[Name]

2-(Trifluoromethoxy)bromobenzene
[CAS]

64115-88-4
[Synonyms]

1-BROMO-2-(TRIFLUOROMETHOXY)BENZENE
2-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE
2-BROMO(TRIFLUOROMETHOXY)BENZENE
2-(TRIFLUOROMETHOXY)BENZENE
2-(TRIFLUOROMETHOXY)BROMOBENZENE
O-BROMO(TRIFLUOROMETHOXY)BENZENE
O-TRIFLUOROMETHOXYBROMOBENZENE
2-(trifluoromrthoxy)bromobenzene
1-Bromo-2-(trifluoromathoxy)Benzene
2-(Trifluoromethoxy)bromobenze
2-(Trifluoromethoxy)bromobenzene 99%
2-(Trifluoromethoxy)bromobenzene99%
1-BROMO-2-(TRIFLUOROMETHOXY)BENZENE/2-BROMO-TRIFLUOROMETHOXYBENZENE
2-(trifluoromethoxy)bromobenzene,1-bromo-2-(trifluoromethoxy)benzene
[Molecular Formula]

C7H4BrF3O
[MDL Number]

MFCD00040942
[Molecular Weight]

241.01
[MOL File]

64115-88-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

158-160 °C(lit.)
[density ]

1.62 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.464(lit.)
[Fp ]

140 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow
[BRN ]

1947768
[InChI]

1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
[InChIKey]

ITYCJCVRPBLODP-UHFFFAOYSA-N
[SMILES]

FC(F)(F)Oc1ccccc1Br
[CAS DataBase Reference]

64115-88-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
[RIDADR ]

UN1993
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29093090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

trifluoromethyl benzoate-->2-(Trimethylsilyl)phenyl trifluoromethanesulfonate-->Potassium fluoride-->Dicyclohexano-18-crown-6-->(Bromoethynyl)benzene-->Bromopentafluorobenzene-->Ethyl acetate
[Preparation Products]

2-(Trifluormethoxy)phenylboronic acid-->2-(Trifluoromethoxy)aniline-->3-(Trifluoromethoxy)bromobenzene-->3-Bromo-4-trifluoromethoxybenzenesulfonyl chloride
Hazard InformationBack Directory
[Uses]

1-Bromo-2-(trifluoromethoxy)benzene can be prepared from (trifluoromethoxy)benzene.
[General Description]

1-Bromo-2-(trifluoromethoxy)benzene can be prepared from (trifluoromethoxy)benzene.
[Synthesis]

trifluoromethyl benzoate

1035797-66-0

2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE

88284-48-4

2-(Trifluoromethoxy)bromobenzene

64115-88-4

In a glove box, KF (78.4 mg, 1.35 mmol, 4.5 eq.) was added to a 20 mL polyethylene (PE) plastic tube. Subsequently, dicyclohexane-18-crown-6 (503 mg, 1.35 mmol, 4.5 eq.) and 6. Next, ethylidene precursor (0.3 mmol, 1.0 eq.), 1-bromophenylacetylene (218 mg, 1.2 mmol, 4.0 eq.) or perfluorohexyl bromide (479 mg, 1.2 mmol, 4.0 eq.) or pentafluorophenyl bromide ( 296 mg, 1.2 mmol, 4.0 equiv) and trifluoromethyl benzoate (171 mg, 0.9 mmol, 3.0 equiv). The reaction tube was sealed and the reaction was carried out at room temperature for 12 hours. At the end of the reaction, the F-spectral yield was first determined by 19F NMR. Finally, the reaction mixture was filtered, dried and purified directly by column chromatography.

[References]

[1] Patent: CN108516935, 2018, A. Location in patent: Paragraph 0166; 0167; 0168; 0169; 0170; 0171
[2] Journal of the American Chemical Society, 2018, vol. 140, # 22, p. 6801 - 6805
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Trifluoromethoxy)bromobenzene(64115-88-4)1HNMR
2-(Trifluoromethoxy)bromobenzene(64115-88-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-bromo-2-(trifluoromethoxy)benzene(64115-88-4)
[Alfa Aesar]

1-Bromo-2-(trifluoromethoxy)benzene, 97%(64115-88-4)
[Sigma Aldrich]

64115-88-4(sigmaaldrich)
[TCI AMERICA]

1-Bromo-2-(trifluoromethoxy)benzene,>97.0%(GC)(64115-88-4)
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