| Identification | More | [Name]
3-(Trifluoromethoxy)bromobenzene | [CAS]
2252-44-0 | [Synonyms]
1-BROMO-3-(TRIFLUOROMETHOXY)BENZENE
3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE
3-BROMO(TRIFLUOROMETHOXY)BENZENE
3-(TRIFLUOROMETHOXY)BROMOBENZENE
BUTTPARK 91\57-27
M-BROMO(TRIFLUOROMETHOXY)BENZENE
Anisole, m-bromo-alphaalphaalpha-trifluoro-
3-Bromo-1-(trifluoromethoxy)benzene
3-(Trifluoromethoxy)bromobenzene 99%
3-(Trifluoromethoxy)bromobenzene99%
1-BROMO-3-(TRIFLUOROMETHOXY)BENZENE/3-BROMO-TRIFLUOROMETHOXYBENZENE
1-BROMO-3-(TRIFLUOROMETHOXY)BENZENE 99%
1-Bromo-3-(trifluoromethoxy)benzene, 98+% | [Molecular Formula]
C7H4BrF3O | [MDL Number]
MFCD00040943 | [Molecular Weight]
241.01 | [MOL File]
2252-44-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear very faintly yellow liquid | [Boiling point ]
156-158 °C | [density ]
1.62 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.462(lit.)
| [Fp ]
145 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
1.64 | [BRN ]
1945938 | [InChI]
InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H | [InChIKey]
WVUDHWBCPSXAFN-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=CC(OC(F)(F)F)=C1 | [CAS DataBase Reference]
2252-44-0(CAS DataBase Reference) | [NIST Chemistry Reference]
3-(Trifluoromethoxy)bromobenzene(2252-44-0) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear very faintly yellow liquid | [Uses]
1-Bromo-3-(trifluoromethoxy)benzene may be used in the preparation of 1,2-dehydro-3-(trifluoromethoxy)benzene. It may be used in the synthesis of new electronically deficient atropisomeric diphosphine ligand (S)-CF3O-BiPhep [2,2′-bis(diphenylphosphino)-6,6′-ditrifluoromethoxy-1,1′-biphenyl]. | [General Description]
1-Bromo-3-(trifluoromethoxy)benzene undergoes Diels-Alder reaction with lithium diisopropylamide (LDA) in THF and furan, to yield the corresponding 1,4-dihydro-1,4-epoxy-5- or 6-(trifluoromethoxy)naphthalenes. | [Synthesis]
The general procedure for the synthesis of 3-trifluoromethoxybromobenzene from p-trifluoromethoxyaniline is described below:
Example 5 (comparative experiment) Preparation of 1-bromo-3-trifluoromethoxybenzene using bromine (Br2) in acetic acid medium. This was done as follows: 60 g of acetic acid was added to a 100 mL round bottom flask, followed by the slow addition of 30 g of 4-trifluoromethoxyaniline. After cooling the reaction mixture to 0-5 °C, 27 g of bromine was slowly added dropwise. Upon completion of the reaction, the reaction mixture was analyzed by gas chromatography, which showed 20% unreacted 4-trifluoromethoxyaniline, 37% monobrominated derivatives and more than 41% dibrominated derivatives. | [References]
[1] Patent: WO2007/107820, 2007, A2. Location in patent: Page/Page column 9
[2] Patent: WO2007/107820, 2007, A2. Location in patent: Page/Page column 9 |
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