2-Bromo-4-iodoaniline
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2-Bromo-4-iodoaniline
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CAS No:
29632-73-3
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Formula:
C6H5BrIN
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Chemical Name:
2-Bromo-4-iodoaniline
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Synonyms:
2-bromo-4-iodoaniline;Benzenamine, 2-bromo-4-iodo-;2-bromo-4-iodobenzenamine;2-BROMO-4-IODO-PHENYLAMINE;MFCD07780668;PubChem5331;ACMC-209ha2;2-bromanyl-4-iodanyl-aniline;Benzenamine,2-bromo-4-iodo-;SCHEMBL1639879
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CAS No:
Characteristics
26
2.6
2.3±0.1 g/cm3
75-76 °C
307.6°C at 760 mmHg
139.8±25.1 °C
1.715
Refrigerated.
0.001mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Bromo-4-iodoaniline Use and Manufacturing
General procedure: General procedure for the iodination of aryl amines under solvent-free conditions.DBDABCODCI (0.5 mmol) and aryl amine (1 mmol) were triturated together in a porcelainmortar at room temperature. After completing reaction which monitored by TLC, the ethylacetate added to mixture and filtered, the organic layer washed with 5percent aqueous sodiumthiosulfate, and dried over MgSO4. The solvent was removed in vacuum and the crude mixturewas purified by column chromatography using ethyl acetate and hexane mixture and analyzedby m.p. and 1H NMR spectroscopy.Part A. To a solution of 4-iodo aniline (1.1 g, 5.0 mmol), in 6 mL of HO Ac, was added a solution of Br2 (250 μ., 4.8 mmol) and the mixture stirred overnight at room temperature. The reaction mixture was washed with brine, saturated aqueous NaHC03 and extracted with Et20, dried (Na2S04), filtered and concentrated. Purification by column chromatography (Hexane:EtOAc = 9: 1, 4: 1, 2: 1) provided the title compound as a brown oil (570 mg, 1.9 mmol, 44 percent) Rf: 0.46 (Hexane:EtOAc, 4: 1). 1H NMR (400 MHz; CDC13): δ 6.54 (1H, d, J = 8.2 Hz, ArCH), 7.37 (1H, d, J = 8.4 Hz, ArCH), 7.70 (1H, s, ArCH). 13C NMR (100 MHz; CDC13): δ 110.0, 117.3, 131.1, 134.4, 136.9, 139.9, 143.8.
Computed Properties
Molecular Weight:297.92
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:296.86501
Monoisotopic Mass:296.86501
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
