2-Bromo-4-chloro-1-iodobenzene
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2-Bromo-4-chloro-1-iodobenzene
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CAS No:
31928-44-6
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Formula:
C6H3BrClI
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Chemical Name:
2-Bromo-4-chloro-1-iodobenzene
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Synonyms:
Benzene,2-bromo-4-chloro-1-iodo-;2-Bromo-4-chloro-1-iodobenzene;2-Bromo-1-iodo-4-chlorobenzene;1-Bromo-5-chloro-2-iodobenzene;4-Chloro-1-iodo-2-bromobenzene;2-Bromo-4-chloroiodobenzene
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CAS No:
2-Bromo-4-chloro-1-iodobenzene Basic Attributes
317.35
317.35
1806241-263-5
DTXSID50548169
2903999090
Safety Information
36/37/38
26-37
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 11 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-4-chloro-1-iodobenzene Use and Manufacturing
[Production Example 4]; The following Indenopyrene Compound D was produced through the following synthesis route. [Show Image] Synthesis of Intermediate D1; 2-Bromo-4-chloroaniline (10 g, 48 mmoles) was suspended in hydrochloric acid water (50 mL of concentrated hydrochloric acid and 35 mL of water), and the suspension was cooled on a dry ice/methanol bath at -15°C. A sodium nitrite aqueous solution (3.6 g, 52 mmoles, 1. 1 eq. /20 mL) was gradually added dropwise thereto over 20 minutes, and the mixture was stirred at from -15°C to 0°C for 30 minutes, thereby preparing a diazonium salt. The reaction solution was gradually added dropwise to a potassium iodide aqueous solution (73 g, 0.44 moles, 9 eq. /220 mL) at room temperature over 10 minutes. The reaction mixture was stirred at room temperature for 6 hours and then allowed to stand overnight. Dichloromethane (200 mL) was added to the reaction mixture, and subsequently, sodium hydrogensulfite (2 g) was added, thereby deactivating generated iodine. An organic layer was aliquoted, washed with a 10percent sodium hydrogensulfite aqueous solution (100 mL) and saturated salt water (30 mL) and dried over anhydrous magnesium sulfate, and the solvent was then distilled off to obtain a red liquid. This was purified by means of column chromatography (silica gel/hexane) to obtain a white needle crystal (12.4 g, 81percent). To a solution of 2-bromo-4-chloroaniline (15 g) in concentrated hydrochloric acid (85 ml_) is added at -15°C a solution of NaNO
Computed Properties
Molecular Weight:317.35
XLogP3:3.9
Exact Mass:315.81514
Monoisotopic Mass:315.81514
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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