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2-Bromophenanthrene

2-Bromophenanthrene structure

CAS No:
62162-97-4
Formula:
C14H9Br
Chemical Name:
2-Bromophenanthrene
Synonyms:
2-Bromophenanthrene;Phenanthrene, 2-bromo-;2-bromanylphenanthrene;ACMC-20acu9;SCHEMBL4354069;DTXSID60500238;BCP21255;CS-B1660;ANW-67567;MFCD13191756
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

White powder

2-Bromophenanthrene Basic Attributes

Molecular Weight：

257.129

Exact Mass：

255.988754

DSSTox ID：

DTXSID60500238

HScode：

2903999090

Characteristics

PSA：

XLogP3：

5.5

Density：

1.5±0.1 g/cm3

Melting Point：

95.0 to 99.0 °C

Boiling Point：

185°C/4mmHg(lit.)

Flash Point：

190.3±13.7 °C

Refractive Index：

1.733

2-Bromophenanthrene Use and Manufacturing

General procedure: To a mixture of aryl halide (0.3 mmol), NiCl2(H2O)1.5 [1] (0.0075 mmol, 2.5 mol percent), was charged dry THF (1 mL). The mixture was pumped and refilled with nitrogen for three times. The resulting mixture was stirred at -10 under nitrogen for 30 min. The reaction mixture was quenched through the addition of ice MeOH, then poured into a separatory funnel containing saturated aqueous NH4Cl (ca. 5 mL) and extracted with EtOAc (3 x 5 mL). The combined organic layers were washed with brine and dried over Na2SO4. The crude product was purified by column chromatography. Extent of isomerization can be easily determined via 1H NMR spectroscopy by comparison of the intergral of the singlet from the t-butyl group (1.3-1.4 ppm, 9H) to the integral of the doublet from the benzylic S3 protons of the i-butyl group (2.4-2.5 ppm, 2H). The doublet from the methyls of the i-butyl group could additionally be used (ca. 0.8 ppm, 6H).Under argon atmosphere, a mixture of phenanthrene-2-amine (9.03 g, 46.7 mmol),

Computed Properties

Molecular Weight:257.12
XLogP3:5.5
Exact Mass:255.98876
Monoisotopic Mass:255.98876
Heavy Atom Count:15
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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