α-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
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α-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
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CAS No:
492-16-0
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Formula:
C10H6F3NO
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Chemical Name:
α-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-(2,2,2-trifluoroacetyl)-;Benzeneacetonitrile,α-(trifluoroacetyl)-;α-(2,2,2-Trifluoroacetyl)benzeneacetonitrile;2-Phenyl-2-(trifluoroacetyl)acetonitrile;4,4,4-Trifluoro-2-phenylacetoacetonitrile;4,4,4-Trifluoro-3-oxo-2-phenylbutanenitrile
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CAS No:
Characteristics
40.86000
2.42518
1.308±0.06 g/cm3
82-84 °C @ Solvent: Benzene
219.5±35.0 °C(Predicted)
Safety Information
3439
20/21/22-36/37/38-22
22-26-36/37/39
T,Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:213.16
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:213.04014830
Monoisotopic Mass:213.04014830
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:283
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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