1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE
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1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE
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CAS No:
207226-31-1
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Formula:
C7H3Br2F3O
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Chemical Name:
1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE
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Synonyms:
3,5-DIBROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE;3,5-DIBROMO-TRIFFLUOROMETHOXYBENZENE;3,5-DIBROMO(TRIFLUOROMETHOXY)BENZENE;1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE;2,6-DIBROMO-4-(TRIFLUOROMETHOXY) BENZENE;1,3-DIBROMO-5-(TRIFL;1,3-Dibromo-5-(trifluoromethoxy)benzene,99%;3,5-DibroMo-1-(trifluoroMethoxy)benzene
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CAS No:
Characteristics
9.2
4.5
Colorless Liquid
2.0±0.1 g/cm3
83-85 °C20 mm Hg(lit.)
>230 °F
1.513
0.261mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE Use and Manufacturing
Synthesis, separation and purification of 1, 3-dibromo-5-trifluoromethoxybenzene:Add 3, 5-dibromophenyldiazonium tetrafluoroborate (1 mmol, 1.0 eq) to a 50 ml round bottom flask under N2.After sealing with a rubber stopper, 4 ml of deaerated anhydrous acetonitrile was added to the round bottom flask with a syringe, and the reaction flask was stirred under a dry ice bath at -40 °C.Then 0.5 M of AgOCF3 acetonitrile solution (6 ml, 3 mmol, 3.0 eq) was added to the reaction flask with a syringe.The reaction was continued at -40 ° C for 2 hours, and then naturally warmed to room temperature for 13 hours.After completion of the reaction, the reaction solution was extracted twice with 20 ml of dichloromethane, and then the obtained organic phase was dried over anhydrous sodium sulfate.Filtration and rotary distillation under reduced pressure gave a crude product with a small solvent.The crude product is then separated on a silica gel column using a low boiling petroleum ether.The final product was obtained: 1, 3-dibromo-5-trifluoromethoxybenzene was a colorless oily liquid, yield 79percent.
Computed Properties
Molecular Weight:319.90
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:319.84822
Monoisotopic Mass:317.85027
Topological Polar Surface Area:9.2
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-DIBROMO-5-(TRIFLUOROMETHOXY)BENZENE
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