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5-Fluorosalicylaldehyde

5-Fluorosalicylaldehyde structure

CAS No:
347-54-6
Formula:
C7H5FO2
Chemical Name:
5-Fluorosalicylaldehyde
Synonyms:
5-FLUOROSALICYLALDEHYDE;5-FluoroSalicylicAldehyde;5-Fluorosalicylaldehyde97%;5-Fluorosalicylaldehyde,98+%;5-FLUORO-2-HYDROXYBENZALDEHYDE;5-Fluoro-2-hydroxybenzaldehyde,97%;5-FLUORO-2-HYDROXYBENZALDEHYDE,98+%;5-Fluorosalicylaldehyde,4-Fluoro-2-formylphenol;5-Fluoro-2-Hydroxybenzaldehyde5-FluoroSalicylicAldehyde
Categories:
Pharmaceutical Intermediates > Antidepressants

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Description

White solid

5-Fluorosalicylaldehyde Basic Attributes

Molecular Weight：

140.11

Exact Mass：

140.027359

DSSTox ID：

DTXSID50371994

HScode：

2913000090

Characteristics

PSA：

37.3

XLogP3：

1.7

Appearance：

White crystal

Density：

1.4±0.1 g/cm3

Melting Point：

82-85 °C(lit.)

Boiling Point：

207.4°C at 760 mmHg

Flash Point：

79.2±21.8 °C

Refractive Index：

1.587

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-fluorosalicylaldehyde

5-Fluorosalicylaldehyde Use and Manufacturing

3- [4- (3-hydroxy-4-methyl-phenoxy)-2-methyl-phenyl]-propionic acid ethyl ester Step A A solution of NaOH (78 g, 1950 mmol) in H20 (400 mL) is added to a solution of 4-fluorophenol (50 g, 446.43 mmol) in a mixture of H2O (200 mL) and EtOH (150 mL). After the mixture is warmed to 70°C, CHC13 (110 mL) is added dropwise (addition funnel, about 2 h), and the mixture is stirred at this temperature overnight (c. a. 16 h). It is allowed to reach r. t. and acidified with HCl (3M). The reaction is partitioned between brine and CH2Cl2, and the organic layer is dried, filtered and concentrated. The crude residue is flash chromatographed on Si02 (3percent EtOAc/hexanes) to afford 13.6 of the title compound (22percent, white solid).Example 80

Computed Properties

Molecular Weight:140.11
XLogP3:1.7
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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