2-Bromo-1,3-diisopropylbenzene
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2-Bromo-1,3-diisopropylbenzene
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CAS No:
57190-17-7
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Formula:
C12H17Br
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Chemical Name:
2-Bromo-1,3-diisopropylbenzene
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Synonyms:
1-Bromo-2,6-diisopropylbenzene;2,6-Diisopropylbromobenzene;2,6-Diisopropylphenyl bromide;2-Bromo-1,3-bis(1-methylethyl)benzene;2-Bromo-1,3-diisopropylbenzene;1-BroMo-2,6-diisopropylbenzene 95%;2-bromo-1,3-di(propan-2-yl)benzene
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CAS No:
Safety Information
UN 3082 9/PG 3
3
22-50/53
60-61
Xn,N
P273-P501
H302-H410
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-1,3-diisopropylbenzene Use and Manufacturing
181 ml of 47percent HBr solution (1.57 mol) are slowly added to 35.5 g (0.20 mol) of2, 6-diiodopropylaniline at room temperature during 15 minutes. The white suspension is cooled down to -56°C and 23.6 g (0.34 mol) of sodium nitrite are added in portions during 10 minutes and stirring continued at the same temperature during one hour. 250 ml of ice-cold diethyl ether are slowly added during 10 minutes and the temperature let slowly rising to -15°C during two hours until no more gas evolved. The temperature is decreased again to -56°C and 24 ml of water are added first followed by the addition of 118.5 g (0.41mol) of sodium carbonate decahydrate giving a brown suspension. The temperature is let raising to room temperature during three hours with evolution of gas starting at -32°C. The resulting orange suspension is further stirred at room temperature during 16 hours. The water phase is separated and the organic phase three times washed with water, dried and concentrated under vacuum. Further purification is done by chromatography (silica gel, heptane) giving the title product as colorless oil (yield: 38.7 g (80percent)).1HNMR (400 MHz, CDCI3): = 1.33 (d, 12 H), 3.54-3.66 (m, 2 H), 7.19-7.23 (m, 2 H), 7.30-7.35 (m, I H).
Computed Properties
Molecular Weight:241.17
XLogP3:4.8
Rotatable Bond Count:2
Exact Mass:240.05136
Monoisotopic Mass:240.05136
Heavy Atom Count:13
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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