METHYL2-FLUORO-5-NITROBENZOATE
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METHYL2-FLUORO-5-NITROBENZOATE
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CAS No:
2965-22-2
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Formula:
C8H6FNO4
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Chemical Name:
METHYL2-FLUORO-5-NITROBENZOATE
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Synonyms:
RARECHEMALBF0280;METHYL2-FLUORO-5-NITROBENZOATE;4-Fluoro-3-(Methoxycarbonyl)nitrobenzene;5-nitro-2-fluorobenzoicacidmethylester;methyl2-fluoro-5-nitrobenzenecarboxylate
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CAS No:
Characteristics
72.1
1.6
1.4±0.1 g/cm3
49-51ºC
302.8°C at 760 mmHg
136.9±23.7 °C
1.534
0.000967mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
METHYL2-FLUORO-5-NITROBENZOATE Use and Manufacturing
A35-b intermediate 37:Methyl 2-fluoro-5-nitrobenzoateIntermediate 36 ( 3.7 g, 20.0 mmol) was dissolved at 0 °C in MeOH (100 mL) and thionyl chloride (5.3 mL, 60.0 mmol) was added dropwise. The solution was heated under reflux for 24 h and concentrated in vacuo. The residue was dissolved in EtOAc and washed several times with 1.0 M NaOH. After drying over NaSulfuric acid (5 mL, 93.80 mmol) was added to a solution of 2-fluoro-5-nitrobenzoic acid (25.55 g, 138.03 mmol) in MeOH (250 mL) with stirring. 17-Cyclohexyl- 18-[4-[2-morpholin-4-yl-5-(2-oxo-pyrrolidin- 1 -yl)- benzyloxyl-phenyll-1.4J l-triaza-tricvclori l.5.2.0
Computed Properties
Molecular Weight:199.14
XLogP3:1.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:199.02808583
Monoisotopic Mass:199.02808583
Topological Polar Surface Area:72.1
Heavy Atom Count:14
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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