2-Fluoro-5-methoxybenzonitrile
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2-Fluoro-5-methoxybenzonitrile
structure -
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CAS No:
127667-01-0
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Formula:
C8H6FNO
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Chemical Name:
2-Fluoro-5-methoxybenzonitrile
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Synonyms:
Benzonitrile,2-fluoro-5-methoxy-;2-Fluoro-5-methoxybenzonitrile;2-Fluoro-5-(methyloxy)benzonitrile
- Categories:
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CAS No:
Characteristics
33
1.7
1.18±0.1 g/cm3(Predicted)
82-84 °C @ Solvent: Diisopropyl ether
232.7±25.0 °C(Predicted)
94.5±23.2 °C
1.505
0.0582mmHg at 25°C
Safety Information
III
6.1
3439
3
20/21/22-36/37/38-36/38
26-36/37/39-45-36/37
T
Toxic
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Fluoro-5-methoxybenzonitrile Use and Manufacturing
15 g of 2-fluoro-5-methoxybenzaldehyde oxime was added to 150 ml of tetrahydrofuran, Add 40g of trifluoroacetic anhydride, Then add 20ml triethylamine, concentrate, Add water and ethyl acetate to extract, Collect the organic phase, dry, concentrate, The residue was separated on a silica gel column to give 11 g of 2-fluoro-5-methoxybenzonitrile.15 g of 2-fluoro-5-methoxybenzaldehyde oxime was added to 150 ml of tetrahydrofuran, Add 40g of trifluoroacetic anhydride, add 20ml of triethylamine, and concentrate.After adding water and extracting with ethyl acetate, the organic layer was collected, dried and concentrated. The residue was separated on a silica gel column to obtain 11 g of 2-fluoro-5-methoxybenzonitrile.Put 15g 2-Fluoro-5-methoxybenzaldehyde oxime was added to 150 ml of tetrahydrofuran, Add 40g Trifluoroacetic anhydride, add 20 ml of triethylamine, concentrate, Add water and ethyl acetate to extract the liquid. Collect the organic phase, dry, concentrate, The residue was separated on a silica gel column to obtain 11 g of 2-fluoro-5-methoxybenzonitrile
Computed Properties
Molecular Weight:151.14
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:151.043341977
Monoisotopic Mass:151.043341977
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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