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5-Fluoro-2-nitrobenzaldehyde

5-Fluoro-2-nitrobenzaldehyde structure

CAS No:
395-81-3
Formula:
C7H4FNO3
Chemical Name:
5-Fluoro-2-nitrobenzaldehyde
Synonyms:
Benzaldehyde,5-fluoro-2-nitro-;5-Fluoro-2-nitrobenzaldehyde;3-Fluoro-6-nitrobenzaldehyde;2-Nitro-5-fluorobenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Fluoro-2-nitrobenzaldehyde Basic Attributes

Molecular Weight：

169.11

Exact Mass：

169.11

EC Number：

206-903-8

UNII：

4XLZ3PX3W9

DSSTox ID：

DTXSID90192645

HScode：

2913000090

Characteristics

PSA：

62.9

XLogP3：

1.2

Density：

1.4±0.1 g/cm3

Melting Point：

94-95 °C

Boiling Point：

287.6°C at 760 mmHg

Flash Point：

127.7±23.2 °C

Refractive Index：

1.590

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

5-Fluoro-2-nitrobenzaldehyde Use and Manufacturing

5-Fluoro-2-nitrobenzaldehyde; Dissolve (5-fluoro-2-nitrophenyl)methoanol (13.92 g, 81.08 mmol) in dichloromethane (284 mL). Add 4Å molecular sieves (73 g) and pyridinium dichromate (36.58 g, 97.3 mmol). Stir the mixture at 20°C for 6 hours. Filter the crude reaction mixture through a short silica gel column. Remove the solvent under reduced pressure and purify the residue by flash chromatography (silica gel, 10-20percent ethyl acetate/hexane) to obtain 9.43 g (69percent) of title compound as colorless oil. 'H-NMR (CDCl3) : 8 10.44 (d, 1H), 8.22 (dd, 1H), 7. 62 (dd, 1H), 7.41 (ddd, 1H)

Computed Properties

Molecular Weight:169.11
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:169.01752115
Monoisotopic Mass:169.01752115
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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Guide of 5-Fluoro-2-nitrobenzaldehyde

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-Fluoro-2-nitrobenzaldehyde

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