3-Chloro-4-FluorobenzylCyanide
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3-Chloro-4-FluorobenzylCyanide
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CAS No:
658-98-0
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Formula:
C7H3NClF
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Chemical Name:
3-Chloro-4-FluorobenzylCyanide
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Synonyms:
3-CHLORO-4-FLUOROBENZYL CYANIDE;3-Chloro-4-fluorophenylacetonitrile;3-Chloro-4-fluoro benzeneacetonitrile;Benzeneacetonitrile,3-chloro-4-fluoro-;2-(3-chloro-4-fluorophenyl)acetonitrile;3-Chloro-4-fluorobenzyl cyanide, 2-(3-Chloro-4-fluorophenyl)ethanonitrile
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CAS No:
Safety Information
TOXIC
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
3-Chloro-4-FluorobenzylCyanide Use and Manufacturing
2-(3-(3-chloro-4-fluorophenyl)piperidin-3-yl)ethanol (Racemic).; [254] Product 3A: 2-(3-chloro-4-fluorophenyl)acetonitrile.; Into a 3 neck flask equipped with a magnetic stirrer, a condenser, and an addition funnel was placed water (75 mL) then sodium cyanide(13.16 g, 268.49 mmol), then chloroform (100 mL) and the phase transfer catalyst N-benzyl-N, N-diethylethanaminium chloride (3.06 g, 13.42 mmol). The mixture was stirred vigorously as 4-(bromomethyl)-2-chloro-l- fluorobenzene (30 g, 134.25 mmol) was added dropwise as a chloroform solution over 30 min at 25°C. The mixture was stirred for an additional 3 hr at 25°C, and then the reaction was heated to 45°C for an additional 2 hr. The reaction was cooled, separated into layers and the organic layer washed with 0.5 N NaOH then brine. The chloroform layer was dried over Na
Computed Properties
Molecular Weight:169.58
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.0094550
Monoisotopic Mass:169.0094550
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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