4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile
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4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile
structure -
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CAS No:
80141-94-2
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Formula:
C9H5F4N
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Chemical Name:
4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,4-fluoro-2-(trifluoromethyl)-;4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile;(4-Fluoro-2-trifluoromethylphenyl)acetonitrile;2-[4-Fluoro-2-(trifluoromethyl)phenyl]acetonitrile
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CAS No:
4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile Basic Attributes
203.13600
203.14
DTXSID00372173
2926909090
Characteristics
23.79000
2.91058
1.364 g/mL at 25 °C(lit.)
222-223 °C(lit.)
226 °F
n20/D 1.451(lit.)
Safety Information
3276
3
R20/21/22
S26-S36/37/39-S45
T
P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, P501
H301
Computed Properties
Molecular Weight:203.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.03581181
Monoisotopic Mass:203.03581181
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile
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