3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile
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3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile
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CAS No:
80194-71-4
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Formula:
C7H2F4N2
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Chemical Name:
3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile
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Synonyms:
2-Pyridinecarbonitrile,3-fluoro-5-(trifluoromethyl)-;3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile;3-Fluoro-5-trifluoromethylpyridine-2-carbonitrile
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CAS No:
3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile Basic Attributes
190.1
190.10
DTXSID90510461
2933399090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile Use and Manufacturing
3-Fluoro-5-trifluoroniethvvridine-2-carbonitrile; A suspension of cesium fluoride (9.6 g, 63 mmol) and potassium carbonate (250 mg, 1.8 mmol) in anhydrous DMSO (50 ml) under N2 was heated to 80°C and Description 115 (8.7 g, 42 mmol) was added over 10 min. The reaction mixture was then heated to 95°C for 20 min, cooled to 55°C and poured into ice water. The mixture was extracted twice with hexane and once with DCM. The combined organic extracts were evaporated to give a solid (8 g, 100percent). 1H NMR (400 MHz, CDCl3) 7.91 (1 H, d, J7.6), 8. 84 (1 H, s).
Computed Properties
Molecular Weight:190.10
XLogP3:1.9
Hydrogen Bond Acceptor Count:6
Exact Mass:190.01541072
Monoisotopic Mass:190.01541072
Topological Polar Surface Area:36.7
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Fluoro-5-(trifluoromethyl)-2-pyridinecarbonitrile
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