3-BROMO-4-IODOTOLUENE
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3-BROMO-4-IODOTOLUENE
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CAS No:
71838-16-9
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Formula:
C7H6BrI
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Chemical Name:
3-BROMO-4-IODOTOLUENE
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Synonyms:
3-Bromo-4-iodotoluene;2-Bromo-1-iodo-4-methylbenzene;1-bromo-2-iodo-5-methylbenzene;Benzene, 2-bromo-1-iodo-4-methyl-;Benzene,2-bromo-1-iodo-4-methyl-;2-Bromo-4-methyliodobenzene;PubChem3792;ACMC-209okc;SCHEMBL2722113;1-Iodo-2-bromo-4-methylbenzene
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CAS No:
Safety Information
IRRITANT
36/37/38
26-36/37/39
Xi
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 (33.33%): 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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-BROMO-4-IODOTOLUENE Use and Manufacturing
General procedure: To a solution of 2-bromoaniline (5 g, 29 mmol) dissolved in CH3CN (80 mL) was added aq. HCl (15 mL conc. HCl in 50 mL water), then the mixture was cooled to 0 °C, and it was added a solution of NaNO2 (2.4 g, 34.87 mmol) in water (50 mL). After addition, the reaction was kept at the temperature lower than 5 °C for 30 min and it was added a solution of (7.23 g, 43.59 mmol) in water (50 mL). After addition, the reaction was kept at room temperature overnight, poured into water (300 mL) and extracted with CH2Cl2.The organic phase was dried over MgSO4. After workup, the brown oily product was distilled to afford a pale-yellow.
3-Bromo-4-iodotoluene, is an intermediate for the synthesis of more complex compounds. It is used for the copper-catalyzed synthesis of 2-Arylbenzoxazoles.
Computed Properties
Molecular Weight:296.93
XLogP3:3.6
Exact Mass:295.86976
Monoisotopic Mass:295.86976
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
