2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
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2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
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CAS No:
481075-58-5
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Formula:
C7H3BrF3I
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Chemical Name:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
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Synonyms:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE;3-Bromo-4-iodobenzotrifluoride;2-Bromo-1-iodo-4-(trifluoromethyl)benzene, 3-Bromo-4-iodo-alpha,alpha,alpha-trifluorotoluene;3-bromo-4-iodo-trifluoromethylbenzene
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CAS No:
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE Basic Attributes
350.9023996
349.841461
DTXSID30585638
2903999090
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE Use and Manufacturing
The 2-bromo-4 - (trifluoromethyl) aniline (3.00g, 12 . 50mmol) and concentrated hydrochloric acid (15 ml) is added to acetonitrile (30 ml) and water (10 ml) in the mixed solvent, cooling to -10 ° C the rear, to the slowly dropping sodium nitrite (0.95g, 13 . 75mmol) water (5 ml) solution. The resulting reaction mixture into -10 ° C reaction 30 minutes later, to add potassium iodide (2.49g, 15 . 00mmol) water (5 ml) solution, to continue stirring for 2 hours, then thermal insulation to the room temperature reaction sleepovers. After the reaction is ended, is added to the reaction solution of saturated sodium bicarbonate solution (30 ml), and using dichloromethane (50 ml × 3) extraction, the combined organic phase with saturated sodium thiosulfate solution (30 ml) and saturated salt water (30 ml) washing. The separated organic phase is dried with anhydrous sodium sulfate, filter, and concentrating under reduced pressure, the resulting residue is purified by silica gel column chromatography (petroleum ether) to obtain the title compound as a yellow oily liquid (3.95g, 90.0percent).
Computed Properties
Molecular Weight:350.90
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Exact Mass:349.84149
Monoisotopic Mass:349.84149
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-BROMO-1-IODO-4-TRIFLUOROMETHYL-BENZENE
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