2-Bromo-4-chloro-1-methylbenzene
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2-Bromo-4-chloro-1-methylbenzene
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CAS No:
27139-97-5
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Formula:
C7H6BrCl
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Chemical Name:
2-Bromo-4-chloro-1-methylbenzene
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Synonyms:
Benzene,2-bromo-4-chloro-1-methyl-;Toluene,2-bromo-4-chloro-;2-Bromo-4-chloro-1-methylbenzene;2-Bromo-4-chlorotoluene
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CAS No:
Characteristics
0
4.3
1.5±0.1 g/cm3
75-77°C
80-100 °C @ Press: 2 Torr
100.4±11.9 °C
1.566
0.173mmHg at 25°C
Safety Information
IRRITANT
36/37/38-51/53-22-36/38
26-36/37/39-61-37
Xi,N,Xn
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 (97.83%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-4-chloro-1-methylbenzene Use and Manufacturing
In a 3000 ml beaker 142 g (1.00 mol) of melted 2-methyl-4- chloroaniline were slowly added to 1200 ml of 23percent aqueous HBr. This mixture was stirred for 20 min using a mechanical stirrer, cooled to -52-Bromo-4-chlorotoluene In a 3000 ml beaker 142 g (1.00 mol) of melted 2-methyl-4-chloroaniline were slowly added to 1200 ml of 23percent aqueous HBr. This mixture was stirred for 20 min using a mechanical stirrer, cooled to -5° C.; and then a solution of 70.0 g (1.00 mol) of NaNO2 in 400 ml of water was added dropwise for 1.5 h at this temperature. The diazonium reagent obtained was added in several portions to a solution of 144 g (1.00 mol) of CuBr in 400 ml of 47percent HBr at 0° C. The resulting mixture was warmed to 70° C., stirred for 30 min at this temperature, and, then, cooled to room temperature. The product was extracted with 3*500 ml of methyl-tert-butyl ether; and the combined extract was dried over K2CO3 and evaporated to dryness. Fractional distillation gave colorless oil, b.p. 81-84° C./7 mm Hg. Yield 148 g (72percent). Anal. calc. for C7H6BrCl: C, 40.92; H, 2.94. Found: C, 41.00; H, 2.99. 1H NMR (CDCl3): delta 7.45 (d, J=1.8 Hz, 1H, 2-H), 7.34 (dd, J=6.0 Hz, J=1.8 Hz, 1H, 4-H), 7.12 (d, J=6.0 Hz, 1H, 5-H), 2.43 (s, 3H, Me).
Computed Properties
Molecular Weight:205.48
XLogP3:4.3
Exact Mass:203.93414
Monoisotopic Mass:203.93414
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromo-4-chloro-1-methylbenzene
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