1,3-DIBROMO-5-TERT-BUTYLBENZENE
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1,3-DIBROMO-5-TERT-BUTYLBENZENE
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CAS No:
129316-09-2
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Formula:
C10H12Br2
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Chemical Name:
1,3-DIBROMO-5-TERT-BUTYLBENZENE
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Synonyms:
1,3-DIBROMO-5-TERT-BUTYLBENZENE;5-(tert-Butyl)-1,3-dibromobenzene;1,3-DibroMo-5-t-butylbenzene;3,5-DibroMo tert-butylbenzene;1,3-dibromo-5-(1,1-dimethylethyl)-Benzene
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CAS No:
Characteristics
0
5
1.549±0.06 g/cm3(Predicted)
250.0±20.0 °C(Predicted)
115.6±21.0 °C
1.550
0.0352mmHg at 25°C
Safety Information
IRRITANT
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1,3-DIBROMO-5-TERT-BUTYLBENZENE Use and Manufacturing
2, 6-Dibromo-4-tert-butyl-benzenamine (5 g, 16.3 mmol) was dissolved in 200 mL ethanol at 50 °C. To this solution was added conc. HPotassium acetate (10.1 g, 103.2 mmol) was added to a thoroughly degassed solution of (2.9 g, 10 mmol), bis(pinacolato)diboron (5 g, 20 mmol), potassium acetate (4.9 g, 50 mmol), [1, 1?-bis(diphenylphosphino)ferrocene]dichloropallad ium(II) (0.5 g, 0.7 mmol), and 100 ml of 1, 4-dioxane were placed in a reaction flask to obtain a mixture. The mixture was reacted at 100 C. under nitrogen atmosphere for 12 hours, and was then cooled. The mixture was mixed with water and extracted using ethyl acetate to collect an organic layer. The organic layer was washed with a saturated sodium chloride aqueous solution, and dried using anhydrous sodium sulfate (Na2SO4), followed by removal of solvents under a reduced pressure to obtain a crude product. The crude product was subjected to column chromatography (SiO2, n-hexane) to give white solids (2.4 g, 63% yield). (0092) The spectrum analysis for the white solids is: 1H NMR (CDCl3, 400 MHz): delta 8.09 (s, 1H), 7.91 (s, 2H), 1.34 (s, 9H), 1.32 (s, 24H). The white solids were confirmed to be Compound L5-1 having a chemical structure represented by
Computed Properties
Molecular Weight:292.01
XLogP3:5
Rotatable Bond Count:1
Exact Mass:291.92853
Monoisotopic Mass:289.93058
Heavy Atom Count:12
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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