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Home > Encyclopedia > 2-Bromo-4-fluorobenzaldehyde

2-Bromo-4-fluorobenzaldehyde

2-Bromo-4-fluorobenzaldehyde structure

2-Bromo-4-fluorobenzaldehyde 

structure
  • CAS No:

    59142-68-6

  • Formula:

    C7H4BrFO

  • Chemical Name:

    2-Bromo-4-fluorobenzaldehyde

  • Synonyms:

    Benzaldehyde,2-bromo-4-fluoro-;2-Bromo-4-fluorobenzaldehyde;4-Fluoro-2-bromobenzaldehyde

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

White to light yellow solid

2-Bromo-4-fluorobenzaldehyde Basic Attributes

203.01

203.01

DTXSID70378369

2913000090

Characteristics

17.1

2.2

1.7±0.1 g/cm3

61.5

234.9°C at 760 mmHg

95.9±21.8 °C

1.585

Room temperature.

Safety Information

IRRITANT, LIGHT SENSITIVE

36/37/38-52-36-22

26-36/37/39

Xi,Xn

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|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-fluorobenzaldehyde Use and Manufacturing

Methods of Manufacturing

General procedure: The benzyl alcohols substrates (1a–1p) (0.2mmol), FeClGeneral procedure: A 30-mL Schlenk tube was evacuated and filled with OTo a-78 °C cooled solution of oxalyl chloride (8.43 ml, 96.58 mmol) in anhydrous dichloromethane (300 ml) was added dropwise dimethyl sulfoxide (13.71 ML, 193.16 mmol). The mixture was stirred at-78 °C for 5 minutes then a solution of Description 14 (18 g, 87.8 mmol) in anhydrous dichloromethane (150 ml) was added slowly. The resulting mixture was stirred at-78 °C for 15 minutes then triethylamine (36.71 ml, 263.4 mmol) was added and the mixture allowed to warm to room temperature over 1 hour. The mixture was washed with water (2 x 500 ml), saturated NaCI (200 ml), dried over NA2S04, filtered through a 2 inch plug of silica gel and evaporated to give the title compound (16 g, 89percent) as a white solid.

Uses

Used in the synthesis of medicine and pesticide intermediates

Computed Properties

Molecular Weight:203.01
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:201.94296
Monoisotopic Mass:201.94296
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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