| Identification | More | [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 Properties | Back 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 Data | Back Directory | [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 |
| Hazard Information | Back 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]
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 |
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