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Home > Encyclopedia > 3-CHLORO-2-NITROBENZALDEHYDE

3-CHLORO-2-NITROBENZALDEHYDE

3-CHLORO-2-NITROBENZALDEHYDE structure

3-CHLORO-2-NITROBENZALDEHYDE 

structure

3-CHLORO-2-NITROBENZALDEHYDE Basic Attributes

185.56

184.987976

DTXSID80482320

2913000090

Characteristics

62.9

1.8

1.5±0.1 g/cm3

313.6±27.0°C at 760 mmHg

143.4±23.7 °C

1.630

3-CHLORO-2-NITROBENZALDEHYDE Use and Manufacturing

This example concerns the synthesis of Aldehyde 12: To a stirred solution of 81 (2.91 g, 13.5 mmol) and CHExample Al 3 a) Preparation of intermediate 28Pyridinium chlorochromate (67 g, 310 mmol) was added to a suspension of 3-chloro-2- nitrobenzylalcohol (25 g, 129 mmol), molecular sieves (40 g), and diatomaceous earth (40 g) in DCM (500 ml). The r.m. was stirred at r.t. for 2 h and then filtrated over silica (eluent: DCM). The product fractions were collected and the solvent was removed under reduced pressure. The residue was purified by chromatography over silica gel (eluent: DCM). The product fractions were collected and the solvent was evaporated. Yield: 22.5 g of intermediate 28 (94 percent).Example Al 3 a) Preparation of intermediate 28Pyridinium chlorochromate (67 g, 310 mmol) was added to a suspension of 3-chloro-2- nitrobenzylalcohol (25 g, 129 mmol), molecular sieves (40 g), and diatomaceous earth (40 g) in DCM (500 ml). The r.m. was stirred at r.t. for 2 h and then filtrated over silica (eluent: DCM). The product fractions were collected and the solvent was removed under reduced pressure. The residue was purified by chromatography over silica gel (eluent: DCM). The product fractions were collected and the solvent was evaporated. Yield: 22.5 g of intermediate 28 (94 %).

Computed Properties

Molecular Weight:185.56
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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