3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
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![3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9652ba04c88c424992f142d19da5bf39.png "3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile")
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
structure -
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CAS No:
27328-86-5
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Formula:
C10H6F3NO
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Chemical Name:
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
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Synonyms:
3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile; 3-(Trifluoromethyl)benzoylacetonitrile;
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CAS No:
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile Basic Attributes
213.15600
213.04014830 g/mol
DTXSID40334311
2926909090
Characteristics
40.86000
2.80178
1.296 g/cm3
58-60ºC
280ºC at 760 mmHg
123.1ºC
1.469
0.00389mmHg at 25°C
Safety Information
III
UN 3439
R20/21/22; R36/37/38
S26-S36/37/39
Xn
|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, 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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:213.16
XLogP3:2.4
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:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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