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2''-BROMO-4''-HYDROXYACETOPHENONE

2''-BROMO-4''-HYDROXYACETOPHENONE structure

CAS No:
61791-99-9
Formula:
C8H7BrO2
Chemical Name:
2''-BROMO-4''-HYDROXYACETOPHENONE
Synonyms:
1-(2-BROMO-4-HYDROXYPHENYL)ETHANONE;2"-BROMO-4"-HYDROXYACETOPHENONE;1-(2-bromo-4-hydroxyphenyl)ethan-1-one;2""-BROMO-4""-HYDROXYACETOPHENONE;Ethanone, 1-(2-bromo-4-hydroxyphenyl)-;2-Brom-4-hydroxyacetophenon;SCHEMBL687914;DTXSID7057573;CTK1I9511;KS-00000MVS
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2''-BROMO-4''-HYDROXYACETOPHENONE Basic Attributes

Molecular Weight：

215.045

Exact Mass：

213.962936

DSSTox ID：

DTXSID7057573

HScode：

2914700090

Characteristics

PSA：

37.3

XLogP3：

2.1

Density：

1.6±0.1 g/cm3

Melting Point：

85-90 °C

Boiling Point：

344.1°C at 760 mmHg

Flash Point：

161.9±23.7 °C

Refractive Index：

1.592

2''-BROMO-4''-HYDROXYACETOPHENONE Use and Manufacturing

l-(2-bromo-4-hydroxyphenyl)ethanone (3.5 g, 16.3 mmol), benzyl bromide (3.3 g, 16.3 mmol) and potassium carbonate (3.5 g, 24.4 mmol) in DMF (15 mL) were stirred at room temperature overnight. Water (50 mL) was added, the aqueous layer was extracted with EtOAc three times. The combined organic layers were dried over Na2SC>4, and concentrated. Crude product was purified by flash chromatography to give l-(4-(benzyloxy)-2-bromophenyl)ethanone (4.3 g, yield 86 percent). XH NMR: (0523) (DMSO-c, 400 MHz) delta 7.59 (d, J= 8.5 Hz, 1H), 7.46-7.34 (m, 5H), 7.26 (d, J= 2.4 Hz, 1H), 6.95 (dd, J = 8.5, 2.4 Hz, 1H), 5.11 (s, 2H), 2.63 (s, 3 H).

Computed Properties

Molecular Weight:215.04
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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high quality C8H7BrO2 99% transparent liquid KANBEI

CAS No.: 61791-99-9

Grade: Industrial Grade

Content: 99%

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Guide of 2''-BROMO-4''-HYDROXYACETOPHENONE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2''-BROMO-4''-HYDROXYACETOPHENONE

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