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2-Fluoro-5-nitroanisole

2-Fluoro-5-nitroanisole structure

CAS No:
454-16-0
Formula:
C7H6FNO3
Chemical Name:
2-Fluoro-5-nitroanisole
Synonyms:
2-Fluoro-5-nitroanisole;4-Fluoro-3-methoxynitrobenzene;3-Methoxy-4-fluoronitrobenzene;Anisole,2-fluoro-5-nitro-(8CI);1-Fluoro-2-methoxy-4-nitrobenzene;Benzene,1-fluoro-2-methoxy-4-nitro-;4-Fluoro-3-methoxynitrobenzene2-Fluoro-5-nitroanisole;2-Fluoro-5-nitroanisole[4-Fluoro-3-Methoxynitrobenzene];4-Fluoro-3-methoxynitrobenzene,1-Fluoro-2-methoxy-4-nitrobenzene,2-Fluoro-5-nitrophenylmethylether
Categories:
Organic Chemistry > Coordination Complexes

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2-Fluoro-5-nitroanisole Basic Attributes

Molecular Weight：

171.13

Exact Mass：

171.033173

DSSTox ID：

DTXSID70560464

HScode：

2909309090

Characteristics

PSA：

XLogP3：

2.3

Density：

1.3±0.1 g/cm3

Melting Point：

69-71 °C

Boiling Point：

270.3±20.0°C at 760 mmHg

Flash Point：

117.3±21.8 °C

Refractive Index：

1.522

Safety Information

Marks：

Xi: Irritant;

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

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

2-Fluoro-5-nitroanisole Use and Manufacturing

To a solution of 2-fluoro-5-nitrophenol (5.0 g, 31.84 mmol) in DMF(50 mL) was added K2C03 (5.27 g, 38.1 mmol), after stirring at room temperature for 15 mm was added methyliodide (3 mL, 47.7 mmol) and the reaction mixture stirred at room temperature for 2h. Reaction mixture was poured into ice water, separated solids were filtered, washed the solid thoroughly with water and vacuum dried to afford an off white solid (4.0 g, 73.5percent). 1H NMR (300 MHz, CDC13) 7.89-7.84 (m, 2H), 7.25-7. 17 (m, 1H), 3.98 (s, 3H).Step-a

Computed Properties

Molecular Weight:171.13
XLogP3:2.3
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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