| Identification | More | [Name]
4-(Trifluoromethoxy)benzyl bromide | [CAS]
50824-05-0 | [Synonyms]
1-(BROMOMETHYL)-4-(TRIFLUOROMETHOXY)BENZENE
4-(TRIFLUOROMETHOXY)BENZYL BROMIDE
ALPHA-BROMO-4-(TRIFLUOROMETHOXY)TOLUENE
TIMTEC-BB SBB006578
P-TritluromethoxybenzylBromide
4-(Trifluoromethoxy)benzyl
4-(Trifluoromethoxy)benzyl bromide 97%
4-(Trifluoromethoxy)benzylbromide97% | [Molecular Formula]
C8H6BrF3O | [MDL Number]
MFCD00061238 | [Molecular Weight]
255.03 | [MOL File]
50824-05-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
22-24°C | [Boiling point ]
82-84 °C10 mm Hg(lit.)
| [density ]
1.594 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.48(lit.)
| [Fp ]
202 °F
| [storage temp. ]
Refrigerated. | [solubility ]
soluble in Chloroform, Methanol | [form ]
Liquid or Low Melting Solid | [color ]
Clear faintly yellow | [Specific Gravity]
1.594 | [Sensitive ]
Lachrymatory | [BRN ]
2521451 | [InChI]
InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2 | [InChIKey]
JDNPUJCKXLOHOW-UHFFFAOYSA-N | [SMILES]
C1(CBr)=CC=C(OC(F)(F)F)C=C1 | [CAS DataBase Reference]
50824-05-0(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
4-Trifluoromethoxybenzyl Bromide is a useful synthetic intermediate. It is used to prepare (nitro)[(trifluoromethoxy)benzyloxy]dihydroimidazo[2,1-b][1,3]oxazines with antitubercular activities. It is also used to synthesize tetrahydronaphthalenols with anti-allergic activities. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive/Lachrymatory | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29093090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [General Description]
Polymerizations of 4-(trifluoromethoxy)benzyl bromide, via Friedel-Crafts polymerization using aluminum chloride as a catalyst has been reported. | [Synthesis]
Synthesis of 1-(bromomethyl)-4-(trifluoromethoxy)benzene: Phosphorus tribromide (6 g, 22.2 mmol) was slowly added dropwise to a solution of (4-(trifluoromethoxy)phenyl)methanol (3.6 g, 18.8 mmol) in dichloromethane (60 mL) at 0-10 °C and stirred for 30 min. The reaction mixture was then continued to stir at room temperature for 3 hours. Upon completion of the reaction, the reaction was terminated by the addition of water (30 mL) and the mixture was washed sequentially with aqueous sodium bicarbonate (2 x 30 mL) and brine (30 mL). The organic layer was dried with anhydrous sodium sulfate and concentrated under reduced pressure to give 4-trifluoromethoxybenzyl bromide (3.5 g, 66% yield) as a yellow oil. | [References]
[1] Patent: US2007/270434, 2007, A1. Location in patent: Page/Page column 17
[2] J. Gen. Chem. USSR (Engl. Transl.), 1965, vol. 35, p. 1631 - 1637
[3] Zhurnal Obshchei Khimii, 1965, vol. 35, p. 1628 - 1636
[4] Journal of Medicinal Chemistry, 2005, vol. 48, # 2, p. 556 - 568
[5] Organometallics, 2014, vol. 33, # 21, p. 5940 - 5943 |
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