2-Bromo-1-chloro-4-methylbenzene
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2-Bromo-1-chloro-4-methylbenzene
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CAS No:
57310-39-1
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Formula:
C7H6BrCl
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Chemical Name:
2-Bromo-1-chloro-4-methylbenzene
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Synonyms:
Benzene,2-bromo-1-chloro-4-methyl-;Toluene,3-bromo-4-chloro-;2-Bromo-1-chloro-4-methylbenzene;3-Bromo-4-chlorotoluene;NSC 139876
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CAS No:
Safety Information
IRRITANT
3
22-51/53
61
Xi,N,Xn
Irritant
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+H312+H332
|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-1-chloro-4-methylbenzene Use and Manufacturing
General procedure: To a mixture of tert-butyl nitrite (48 mmol, 6.34 mL) and anhydrous copper (II) chloride (60 mmol, 8.07 g) in dry acetonitrile (100 mL) at 65 °C, amine 4 or 6 (30 mmol) was added slowly under vigorous stirring for 30 min. The mixture was then stirred at 65 °C for 2 h. Upon cooling, the mixture was poured into 20percent hydrochloric acid (400 mL) and extracted with diethyl ether (3×120 mL). The combined organic phases were washed with brine (100 mL), dried over anhydrous Na2SO4 and evaporated. Raw product was purified by flash column chromatography.
Computed Properties
Molecular Weight:205.48
XLogP3:3.6
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-1-chloro-4-methylbenzene
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