4-Bromo-2,6-dichloroaniline
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4-Bromo-2,6-dichloroaniline
structure -
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CAS No:
697-88-1
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Formula:
C6H4BrCl2N
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Chemical Name:
4-Bromo-2,6-dichloroaniline
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Synonyms:
Benzenamine,4-bromo-2,6-dichloro-;Aniline,4-bromo-2,6-dichloro-;4-Bromo-2,6-dichlorobenzenamine;4-Bromo-2,6-dichloroaniline;2,6-Dichloro-4-bromoaniline;(4-Bromo-2,6-dichlorophenyl)amine
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CAS No:
4-Bromo-2,6-dichloroaniline Basic Attributes
240.91
240.91
2089687
211-809-5
DTXSID10219989
2921420090
Safety Information
NONH for all modes of transport
3
22-36/37/38-20/21/22
26-36-36/37/39-22
Xn,Xi
Irritant/Harmful
P261-P305 + P351 + P338
H302-H315-H319-H335
|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|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2,6-dichloroaniline Use and Manufacturing
General procedure: To an oven-dried flask was added a magnetic stir bar, methylene green (9.1 mg, 0.05 equiv, 0.025 mmol), ammonium peroxodisulfate (11.4 mg, 0.1 equiv, 0.05 mmol), arene/heteroarene (1 equiv, 0.5 mmol), acetonitrile (2.5 mL), and then N-chlorosuccinimide (73.4 mg, 1.1 equiv, 0.55 mmol). The reaction mixture was stirred open to air at room temperature (20 C) in a white LED chamber for 24 h. For substrates that produced a mixture of mono- and dibrominated products upon full conversion, 2.2 equivalents (1.1 mmol) of N-chlorosuccinimide was employed. Upon completion of the reaction, the crude mixture was evaporated under pressure and the chlorinated product was isolated via column chromatography on silica gel.
Computed Properties
Molecular Weight:240.91
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:238.89042
Monoisotopic Mass:238.89042
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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