Benzonitrile, 5-acetyl-2-fluoro- (9CI)
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Benzonitrile, 5-acetyl-2-fluoro- (9CI)
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CAS No:
288309-07-9
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Formula:
C9H6FNO
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Chemical Name:
Benzonitrile, 5-acetyl-2-fluoro- (9CI)
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Synonyms:
Benzonitrile, 5-acetyl-2-fluoro- (9CI);Benzonitrile, 5-acetyl-2-fluoro-;2-Fluoro-5-acetylbenzonitrile
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CAS No:
Benzonitrile, 5-acetyl-2-fluoro- (9CI) Basic Attributes
163.1484432
163.043335
DTXSID00625752
2926909090
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzonitrile, 5-acetyl-2-fluoro- (9CI) Use and Manufacturing
5-Acetyl-2-fluorobenzonitrile (2.00 g, 12.3 mmol, GAS 288309-07-9) was dissolved inN, N-diisopropylethylamine (6.4 m[, 37 mmol) and morpholine (5.3 m[, 61 mmol) was added. The mixture was heated at 100 C overnight. The mixture was concentrated in vacuo and then water was added. The aqeous phase was extracted with ethyl acetate three times. Solvents were removed in vacuo to give 3.00 g (quant. yield) of the title compound.[C-MS (Method 1): R = 0.90 mm; MS (ESIpos): m/z = 231 [M÷H]A solution of morpholine (5.3 mL) and
Computed Properties
Molecular Weight:163.15
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:163.043341977
Monoisotopic Mass:163.043341977
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzonitrile, 5-acetyl-2-fluoro- (9CI)
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