2,5-Dibromo-3-hexylthiophene
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2,5-Dibromo-3-hexylthiophene
structure -
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CAS No:
116971-11-0
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Formula:
C10H14Br2S
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Chemical Name:
2,5-Dibromo-3-hexylthiophene
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Synonyms:
Thiophene,2,5-dibromo-3-hexyl-;2,5-Dibromo-3-hexylthiophene;1202693-12-6
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CAS No:
Characteristics
28.2
6.6
Light yellow liquid
1.521 g/mL at 25 °C(lit.)
317.2±37.0 °C(Predicted)
>230 °F
n20/D 1.557(lit.)
2-8°C
0.000726mmHg at 25°C
Safety Information
NONH for all modes of transport
3
24/25
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
Not Classified
2,5-Dibromo-3-hexylthiophene Use and Manufacturing
Inventive338 g of 3-hexylthiophene were initially charged with 1070 g of 48percent hydrobromic acid. The mixture was cooled to -5° C. and admixed with 400 g of 34percent hydrogen peroxide over a period of 7 h. Within 16 h, the mixture was warmed to 20° C. The phases were separated. The crude product (2, 5-dibromo-3-hexylthiophene) had a purity of 96.9percent; the yield of the crude product was 97percent.A solution of NBS (2.2 eq, 23.26 g, 0.130 mol) in 100ml DMF was added dropwise to a solution of 1 (10g, 0.059 mol) in 100ml DMF and stirred in the dark at OA solution of NBS (2.2 eq, 23.26 g, 0.130 mol) in 100ml DMF was added dropwise to a solution of 1 (10g, 0.059 mol) in 100ml DMF and stirred in the dark at 0°C. When addition was complete, the reaction was allowed to warm to room temperature. After stirring for 48h, the solution was added to 100ml of an ice cooled 2.5M NaOH solution and stirred before extraction with 3 x 100ml diethyl ether. The organic phase was washed using 100ml of 2.5M NaOH solution, H
Conductive polymer precursor.
Thiophene, 2,5-dibromo-3-hexyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.|Thiophene, 2,5-dibromo-3-hexyl-, homopolymer: ACTIVE
Computed Properties
Molecular Weight:326.09
XLogP3:6.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:325.91625
Monoisotopic Mass:323.91830
Topological Polar Surface Area:28.2
Heavy Atom Count:13
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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