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3-Fluoro-4-hydroxybenzaldehyde

3-Fluoro-4-hydroxybenzaldehyde structure

3-Fluoro-4-hydroxybenzaldehyde 

structure
  • CAS No:

    405-05-0

  • Formula:

    C7H5FO2

  • Chemical Name:

    3-Fluoro-4-hydroxybenzaldehyde

  • Synonyms:

    Benzaldehyde,3-fluoro-4-hydroxy-;3-Fluoro-4-hydroxybenzaldehyde;2-Fluoro-4-formylphenol

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

White crystalline powder

3-Fluoro-4-hydroxybenzaldehyde Basic Attributes

140.113

140.11

DTXSID00343080

2913000090

Characteristics

37.3

1.3

1.4±0.1 g/cm3

121.1-122.9 °C

225.6°C at 760 mmHg

90.2±21.8 °C

1.587

Safety Information

R36/37/38

S26-S36

Xi: 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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Fluoro-4-hydroxybenzaldehyde Use and Manufacturing

A mixture of 3-fluoro-4-methoxybenzaldehyde (1 g, 6.5 mmol) and boron tribromide (solution 1M in CHIntermediate 39: 3-Fluoro-4-hydroxybenzaldehydeTo a 25 mL RB flask fitted with magnetic stirrer was charged with 20 mL of dichloromethane. To the stirred solvent was added 3-fluoro-4-methoxybenzaldehyde (2 g, 12.97 mmol). The reaction mixture was cooled to -78 °C and boron tribromide (51 mL) was added drop wise, stirred for 2 h at the same temperature and stirred at RT about 16 h. The reaction mixture was quenched with NaHC0To a well stirred solution of 2-fluorophenol (1.0 mmol) in CF

Computed Properties

Molecular Weight:140.11
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.02735756
Monoisotopic Mass:140.02735756
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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