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Home > Encyclopedia > 4-Fluoro-2-nitroanisole

4-Fluoro-2-nitroanisole

4-Fluoro-2-nitroanisole structure

4-Fluoro-2-nitroanisole 

structure
  • CAS No:

    445-83-0

  • Formula:

    C7H6FNO3

  • Chemical Name:

    4-Fluoro-2-nitroanisole

  • Synonyms:

    4-Fluoro-2-nitroanis;4-FLUORO-2-NITROANISOLE;4-Fluoro-2-nitroanisole98%;4-Fluoro-2-nitroanisole98%;4-Fluoro-2-nitro-methoxybenzene;1-Methoxy-2-nitro-4-fluorobenzene;4-FLUORO-1-METHOXY-2-NITROBENZENE

Description

Yellow powder

4-Fluoro-2-nitroanisole Basic Attributes

171.127

171.033173

DTXSID70340561

2909309090

Characteristics

55

1.9

1.3±0.1 g/cm3

62-64 °C(lit.)

272.4°C at 760 mmHg

118.5±21.8 °C

1.522

0.0102mmHg at 25°C

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S36

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluoro-2-nitroanisole Use and Manufacturing

A solution of methyl iodide (127.8 g, 0.9004 mol) in acetonitrile (100 mL) was slowly added to a solution of 5-fluoro-2- nitrophenol (94.2 g, 0.600 mol) and potassium carbonate (207 g, 1.50 mol) in acetonitrile (450 mL). The mixture was heated to reflux for 15 hours. The mixture was allowed to cool, filtered, and washed twice with dichloromethane (100 mL). The combined filtrated was evaporated to dryness to give the desired product (96 g, 0.56 mol, 93 percent), which was used directly in the next step.

Computed Properties

Molecular Weight:171.13
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.03317122
Monoisotopic Mass:171.03317122
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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